 Entering Gaussian System, Link 0=g16
 Input=26_junionone_conformer02_STD_M11_augccpVDZ.in
 Output=26_junionone_conformer02_STD_M11_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/Gau-32532.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     32534.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=26_junionone_conformer02_STD_M11_augccpVDZ
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:09:07 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "26_junionone_conformer02_STD_M11_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.530099000000     -1.508264000000      1.055941000000
  C                                                 1.992159000000     -0.420719000000      0.101332000000
  C                                                 0.876932000000      0.415329000000     -0.653089000000
  C                                                -0.458897000000      0.388684000000     -0.019490000000
  C                                                -1.593028000000      0.006415000000     -0.609535000000
  C                                                -2.888593000000      0.009125000000      0.113412000000
  O                                                -2.988808000000      0.357087000000      1.273828000000
  C                                                 2.991586000000     -0.980627000000     -0.904352000000
  C                                                 2.495653000000      0.903435000000      0.738484000000
  C                                                 1.692114000000      1.700286000000     -0.311172000000
  C                                                -4.090420000000     -0.451292000000     -0.680206000000
  H                                                 3.575623000000      1.052608000000      0.763044000000
  H                                                 2.105043000000      1.042496000000      1.747169000000
  H                                                 0.794893000000      0.176326000000     -1.714627000000
  H                                                 1.113755000000      2.550616000000      0.047344000000
  H                                                 2.299691000000      2.026935000000     -1.153691000000
  H                                                 0.828612000000     -1.129461000000      1.799490000000
  H                                                 2.386498000000     -1.929915000000      1.588481000000
  H                                                 1.037863000000     -2.321547000000      0.516973000000
  H                                                 3.338078000000     -0.213622000000     -1.599830000000
  H                                                 2.542413000000     -1.786694000000     -1.489631000000
  H                                                 3.866547000000     -1.384606000000     -0.389083000000
  H                                                -0.531254000000      0.709327000000      1.016743000000
  H                                                -1.593669000000     -0.320419000000     -1.644436000000
  H                                                -3.932675000000     -1.470886000000     -1.042306000000
  H                                                -4.222470000000      0.181706000000     -1.561921000000
  H                                                -4.984113000000     -0.413788000000     -0.062287000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 21:09:07 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.530099   -1.508264    1.055941
      2          6           0        1.992159   -0.420719    0.101332
      3          6           0        0.876932    0.415329   -0.653089
      4          6           0       -0.458897    0.388684   -0.019490
      5          6           0       -1.593028    0.006415   -0.609535
      6          6           0       -2.888593    0.009125    0.113412
      7          8           0       -2.988808    0.357087    1.273828
      8          6           0        2.991586   -0.980627   -0.904352
      9          6           0        2.495653    0.903435    0.738484
     10          6           0        1.692114    1.700286   -0.311172
     11          6           0       -4.090420   -0.451292   -0.680206
     12          1           0        3.575623    1.052608    0.763044
     13          1           0        2.105043    1.042496    1.747169
     14          1           0        0.794893    0.176326   -1.714627
     15          1           0        1.113755    2.550616    0.047344
     16          1           0        2.299691    2.026935   -1.153691
     17          1           0        0.828612   -1.129461    1.799490
     18          1           0        2.386498   -1.929915    1.588481
     19          1           0        1.037863   -2.321547    0.516973
     20          1           0        3.338078   -0.213622   -1.599830
     21          1           0        2.542413   -1.786694   -1.489631
     22          1           0        3.866547   -1.384606   -0.389083
     23          1           0       -0.531254    0.709327    1.016743
     24          1           0       -1.593669   -0.320419   -1.644436
     25          1           0       -3.932675   -1.470886   -1.042306
     26          1           0       -4.222470    0.181706   -1.561921
     27          1           0       -4.984113   -0.413788   -0.062287
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.519056   0.000000
     3  C    2.654736   1.584884   0.000000
     4  C    2.951452   2.584068   1.478715   0.000000
     5  C    3.849933   3.679856   2.503959   1.334367   0.000000
     6  C    4.766096   4.899658   3.864156   2.462753   1.483627
     7  O    4.893621   5.175883   4.319762   2.841500   2.370280
     8  C    2.501418   1.524386   2.546289   3.816258   4.698921
     9  C    2.617129   1.553336   2.189744   3.093357   4.397626
    10  C    3.491424   2.181479   1.559661   2.536183   3.708150
    11  C    5.976757   6.132659   5.042455   3.785507   2.539972
    12  H    3.290596   2.261839   3.113598   4.162992   5.449169
    13  H    2.704576   2.205112   2.768182   3.181563   4.505912
    14  H    3.324819   2.255574   1.091199   2.119098   2.636715
    15  H    4.202989   3.098926   2.259677   2.674257   3.772416
    16  H    4.239384   2.767791   2.207288   3.402953   4.419487
    17  H    1.090156   2.177131   2.898940   2.696504   3.599716
    18  H    1.093073   2.155177   3.578211   4.007212   4.941384
    19  H    1.092800   2.167161   2.980845   3.142202   3.689175
    20  H    3.463814   2.179068   2.710929   4.156593   5.034373
    21  H    2.753587   2.167909   2.884880   3.987662   4.592568
    22  H    2.749977   2.164004   3.499609   4.689416   5.638306
    23  H    3.027940   2.912489   2.204033   1.087118   2.065485
    24  H    4.296619   3.989477   2.761877   2.104990   1.085284
    25  H    5.852003   6.124901   5.180890   4.070785   2.800653
    26  H    6.542266   6.461497   5.185022   4.072642   2.802094
    27  H    6.699498   6.978194   5.948809   4.596017   3.460565
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.215601   0.000000
     8  C    6.049129   6.503773   0.000000
     9  C    5.493688   5.537545   2.548441   0.000000
    10  C    4.901344   5.121273   3.037727   1.543510   0.000000
    11  C    1.512019   2.384381   7.105297   6.871996   6.180872
    12  H    6.580043   6.620907   2.693576   1.090500   2.262970
    13  H    5.354757   5.161507   3.451021   1.090578   2.199992
    14  H    4.115550   4.824928   2.611617   3.072300   2.257686
    15  H    4.741554   4.811118   4.111162   2.258433   1.089079
    16  H    5.709238   6.053880   3.096178   2.209294   1.088893
    17  H    4.237552   4.130235   3.465742   2.835035   3.634281
    18  H    5.810533   5.850068   2.735232   2.960115   4.155624
    19  H    4.583879   4.895098   2.763198   3.546086   4.158005
    20  H    6.461907   6.972310   1.091807   2.724924   2.834234
    21  H    5.940584   6.544227   1.092727   3.493348   3.777672
    22  H    6.915700   7.265993   1.092821   2.895840   3.775022
    23  H    2.619797   2.495944   4.353958   3.045861   2.772855
    24  H    2.208044   3.304798   4.691286   4.888628   4.081325
    25  H    2.148540   3.097878   6.942966   7.080396   6.498395
    26  H    2.148430   3.097443   7.336622   7.137642   6.233198
    27  H    2.144978   2.522042   8.040034   7.636963   7.007372
                   11         12         13         14         15
    11  C    0.000000
    12  H    7.944363   0.000000
    13  H    6.819627   1.769522   0.000000
    14  H    5.032913   3.826119   3.801418   0.000000
    15  H    6.051795   2.969352   2.479210   2.973797   0.000000
    16  H    6.870176   2.500238   3.069527   2.450269   1.767250
    17  H    5.550287   3.658103   2.519804   3.749031   4.085865
    18  H    7.020237   3.315239   2.989921   4.228473   4.906132
    19  H    5.588415   4.229149   3.737518   3.358339   4.895333
    20  H    7.488977   2.691271   3.781615   2.575467   3.911752
    21  H    6.814172   3.768780   4.321167   2.637783   4.818258
    22  H    8.016804   2.711466   3.682023   3.691698   4.822272
    23  H    4.110272   4.129000   2.755828   3.082716   2.652571
    24  H    2.679670   5.865385   5.200095   2.440678   4.293612
    25  H    1.093422   8.124152   7.110014   5.051259   6.544178
    26  H    1.093410   8.183776   7.192250   5.019689   6.056135
    27  H    1.087160   8.723564   7.459962   6.039484   6.781129
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.565982   0.000000
    18  H    4.814946   1.764160   0.000000
    19  H    4.826243   1.763436   1.766443   0.000000
    20  H    2.509459   4.323373   3.743861   3.770304   0.000000
    21  H    3.836083   3.766615   3.085384   2.564410   1.766290
    22  H    3.831224   3.752866   2.529559   3.114522   1.765330
    23  H    3.802778   2.417244   3.975646   3.449362   4.761304
    24  H    4.572653   4.287496   5.374380   3.949831   4.933105
    25  H    7.147695   5.555378   6.860298   5.278373   7.399689
    26  H    6.790442   6.207389   7.619871   6.185400   7.570971
    27  H    7.759001   6.145419   7.703868   6.343444   8.465398
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.768110   0.000000
    23  H    4.686092   5.069670   0.000000
    24  H    4.391025   5.702838   3.044828   0.000000
    25  H    6.498200   7.827005   4.534609   2.675273   0.000000
    26  H    7.045812   8.322324   4.533538   2.677598   1.756429
    27  H    7.782723   8.909740   4.717377   3.742596   1.784213
                   26         27
    26  H    0.000000
    27  H    1.784269   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.11D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.530099   -1.508264    1.055941
      2          6           0        1.992159   -0.420719    0.101332
      3          6           0        0.876932    0.415329   -0.653089
      4          6           0       -0.458897    0.388684   -0.019490
      5          6           0       -1.593028    0.006415   -0.609535
      6          6           0       -2.888593    0.009125    0.113412
      7          8           0       -2.988808    0.357087    1.273828
      8          6           0        2.991586   -0.980627   -0.904352
      9          6           0        2.495653    0.903435    0.738484
     10          6           0        1.692114    1.700286   -0.311172
     11          6           0       -4.090420   -0.451292   -0.680206
     12          1           0        3.575623    1.052608    0.763044
     13          1           0        2.105043    1.042496    1.747169
     14          1           0        0.794893    0.176326   -1.714627
     15          1           0        1.113755    2.550616    0.047344
     16          1           0        2.299691    2.026935   -1.153691
     17          1           0        0.828612   -1.129461    1.799490
     18          1           0        2.386498   -1.929915    1.588481
     19          1           0        1.037863   -2.321547    0.516973
     20          1           0        3.338078   -0.213622   -1.599830
     21          1           0        2.542413   -1.786694   -1.489631
     22          1           0        3.866547   -1.384606   -0.389083
     23          1           0       -0.531254    0.709327    1.016743
     24          1           0       -1.593669   -0.320419   -1.644436
     25          1           0       -3.932675   -1.470886   -1.042306
     26          1           0       -4.222470    0.181706   -1.561921
     27          1           0       -4.984113   -0.413788   -0.062287
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.2586681           0.5040654           0.4908743
 Leave Link  202 at Thu Aug 12 21:09:08 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      8      9     10     11
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 436 were deleted.
 There are   419 symmetry adapted cartesian basis functions of A   symmetry.
 There are   397 symmetry adapted basis functions of A   symmetry.
   397 basis functions,   709 primitive gaussians,   419 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       609.3387863805 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:09:10 2021, MaxMem=  5368709120 cpu:              16.9 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   397 RedAO= T EigKep=  2.87D-06  NBF=   397
 NBsUse=   397 1.00D-06 EigRej= -1.00D+00 NBFU=   397
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   419   419   419   419   419 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Thu Aug 12 21:09:11 2021, MaxMem=  5368709120 cpu:               6.4 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:09:12 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "26_junionone_conformer02_STD_M11_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:09:13 2021, MaxMem=  5368709120 cpu:               6.3 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368350547 LenY=  5368174545
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.623445519589    
 DIIS: error= 2.35D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.623445519589     IErMin= 1 ErrMin= 2.35D-03
 ErrMax= 2.35D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.30D-02 BMatP= 1.30D-02
 IDIUse=3 WtCom= 9.76D-01 WtEn= 2.35D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.378 Goal=   None    Shift=    0.000
 GapD=    0.378 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=3.77D-02 MaxDP=6.09D+00              OVMax= 2.17D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.94D-02    CP:  1.76D+00
 E= -465.636586316701     Delta-E=       -0.013140797112 Rises=F Damp=F
 DIIS: error= 6.03D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.636586316701     IErMin= 2 ErrMin= 6.03D-04
 ErrMax= 6.03D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.82D-04 BMatP= 1.30D-02
 IDIUse=3 WtCom= 9.94D-01 WtEn= 6.03D-03
 Coeff-Com: -0.721D-02 0.101D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.717D-02 0.101D+01
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=6.71D-03 MaxDP=1.13D+00 DE=-1.31D-02 OVMax= 9.41D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.56D-03    CP:  1.89D+00  1.17D+00
 E= -465.636786085802     Delta-E=       -0.000199769102 Rises=F Damp=F
 DIIS: error= 6.79D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -465.636786085802     IErMin= 2 ErrMin= 6.03D-04
 ErrMax= 6.79D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.87D-04 BMatP= 5.82D-04
 IDIUse=3 WtCom= 2.77D-01 WtEn= 7.23D-01
 Coeff-Com: -0.493D-01 0.550D+00 0.499D+00
 Coeff-En:   0.000D+00 0.363D+00 0.637D+00
 Coeff:     -0.137D-01 0.415D+00 0.599D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=5.34D-04 MaxDP=8.58D-02 DE=-2.00D-04 OVMax= 6.53D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.27D-04    CP:  1.90D+00  1.18D+00  1.05D+00
 E= -465.637198539236     Delta-E=       -0.000412453434 Rises=F Damp=F
 DIIS: error= 2.60D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.637198539236     IErMin= 4 ErrMin= 2.60D-04
 ErrMax= 2.60D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-04 BMatP= 5.82D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.60D-03
 Coeff-Com: -0.593D-02-0.462D-01 0.277D+00 0.775D+00
 Coeff-En:   0.000D+00 0.000D+00 0.105D+00 0.895D+00
 Coeff:     -0.591D-02-0.461D-01 0.277D+00 0.775D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=3.38D-04 MaxDP=5.65D-02 DE=-4.12D-04 OVMax= 2.43D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.13D-04    CP:  1.91D+00  1.19D+00  1.14D+00  1.11D+00
 E= -465.637281451342     Delta-E=       -0.000082912106 Rises=F Damp=F
 DIIS: error= 4.59D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.637281451342     IErMin= 5 ErrMin= 4.59D-05
 ErrMax= 4.59D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.58D-06 BMatP= 1.12D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.197D-02-0.705D-01 0.679D-01 0.327D+00 0.674D+00
 Coeff:      0.197D-02-0.705D-01 0.679D-01 0.327D+00 0.674D+00
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=4.99D-05 MaxDP=2.91D-03 DE=-8.29D-05 OVMax= 5.51D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.02D-05    CP:  1.91D+00  1.19D+00  1.15D+00  1.13D+00  1.15D+00
 E= -465.637284428510     Delta-E=       -0.000002977168 Rises=F Damp=F
 DIIS: error= 1.10D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.637284428510     IErMin= 6 ErrMin= 1.10D-05
 ErrMax= 1.10D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.58D-07 BMatP= 2.58D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.135D-02-0.154D-01-0.129D-01 0.606D-02 0.178D+00 0.843D+00
 Coeff:      0.135D-02-0.154D-01-0.129D-01 0.606D-02 0.178D+00 0.843D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=2.26D-05 MaxDP=2.91D-03 DE=-2.98D-06 OVMax= 3.29D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.05D-05    CP:  1.91D+00  1.19D+00  1.15D+00  1.15D+00  1.22D+00
                    CP:  1.15D+00
 E= -465.637284729793     Delta-E=       -0.000000301283 Rises=F Damp=F
 DIIS: error= 4.71D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.637284729793     IErMin= 7 ErrMin= 4.71D-06
 ErrMax= 4.71D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.57D-08 BMatP= 1.58D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.106D-03 0.432D-02-0.107D-01-0.366D-01-0.356D-01 0.259D+00
 Coeff-Com:  0.820D+00
 Coeff:      0.106D-03 0.432D-02-0.107D-01-0.366D-01-0.356D-01 0.259D+00
 Coeff:      0.820D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=7.89D-06 MaxDP=1.09D-03 DE=-3.01D-07 OVMax= 1.09D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.68D-06    CP:  1.91D+00  1.19D+00  1.15D+00  1.15D+00  1.23D+00
                    CP:  1.20D+00  1.08D+00
 E= -465.637284776992     Delta-E=       -0.000000047199 Rises=F Damp=F
 DIIS: error= 1.63D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.637284776992     IErMin= 8 ErrMin= 1.63D-06
 ErrMax= 1.63D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.11D-09 BMatP= 2.57D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.134D-03 0.261D-02-0.336D-03-0.853D-02-0.330D-01-0.461D-01
 Coeff-Com:  0.140D+00 0.946D+00
 Coeff:     -0.134D-03 0.261D-02-0.336D-03-0.853D-02-0.330D-01-0.461D-01
 Coeff:      0.140D+00 0.946D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=2.11D-06 MaxDP=1.26D-04 DE=-4.72D-08 OVMax= 5.74D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.29D-06    CP:  1.91D+00  1.19D+00  1.15D+00  1.14D+00  1.22D+00
                    CP:  1.21D+00  1.17D+00  1.26D+00
 E= -465.637284783131     Delta-E=       -0.000000006140 Rises=F Damp=F
 DIIS: error= 5.33D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.637284783131     IErMin= 9 ErrMin= 5.33D-07
 ErrMax= 5.33D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.53D-10 BMatP= 2.11D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.416D-04 0.249D-03 0.106D-02 0.132D-02-0.621D-02-0.315D-01
 Coeff-Com: -0.573D-01 0.257D+00 0.836D+00
 Coeff:     -0.416D-04 0.249D-03 0.106D-02 0.132D-02-0.621D-02-0.315D-01
 Coeff:     -0.573D-01 0.257D+00 0.836D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=1.59D-06 MaxDP=2.53D-04 DE=-6.14D-09 OVMax= 1.53D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.05D-07    CP:  1.91D+00  1.19D+00  1.15D+00  1.14D+00  1.22D+00
                    CP:  1.21D+00  1.17D+00  1.37D+00  1.13D+00
 E= -465.637284783763     Delta-E=       -0.000000000632 Rises=F Damp=F
 DIIS: error= 1.64D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -465.637284783763     IErMin=10 ErrMin= 1.64D-07
 ErrMax= 1.64D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.60D-11 BMatP= 3.53D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.103D-04-0.377D-03 0.407D-03 0.183D-02 0.350D-02 0.240D-02
 Coeff-Com: -0.459D-01-0.744D-01 0.204D+00 0.908D+00
 Coeff:      0.103D-04-0.377D-03 0.407D-03 0.183D-02 0.350D-02 0.240D-02
 Coeff:     -0.459D-01-0.744D-01 0.204D+00 0.908D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=8.32D-07 MaxDP=1.39D-04 DE=-6.32D-10 OVMax= 7.17D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.08D-07    CP:  1.91D+00  1.19D+00  1.15D+00  1.14D+00  1.22D+00
                    CP:  1.20D+00  1.17D+00  1.40D+00  1.26D+00  1.48D+00
 E= -465.637284783875     Delta-E=       -0.000000000112 Rises=F Damp=F
 DIIS: error= 6.48D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -465.637284783875     IErMin=11 ErrMin= 6.48D-08
 ErrMax= 6.48D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.44D-12 BMatP= 4.60D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.542D-05-0.689D-04-0.521D-04 0.548D-04 0.846D-03 0.447D-02
 Coeff-Com: -0.262D-02-0.297D-01-0.709D-01 0.105D+00 0.993D+00
 Coeff:      0.542D-05-0.689D-04-0.521D-04 0.548D-04 0.846D-03 0.447D-02
 Coeff:     -0.262D-02-0.297D-01-0.709D-01 0.105D+00 0.993D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=1.88D-07 MaxDP=2.49D-05 DE=-1.12D-10 OVMax= 2.10D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  7.50D-08    CP:  1.91D+00  1.19D+00  1.15D+00  1.14D+00  1.22D+00
                    CP:  1.20D+00  1.16D+00  1.41D+00  1.30D+00  1.68D+00
                    CP:  1.30D+00
 E= -465.637284783890     Delta-E=       -0.000000000015 Rises=F Damp=F
 DIIS: error= 1.26D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -465.637284783890     IErMin=12 ErrMin= 1.26D-08
 ErrMax= 1.26D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.60D-13 BMatP= 4.44D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.570D-06 0.339D-04-0.465D-04-0.194D-03-0.322D-03 0.617D-03
 Coeff-Com:  0.378D-02 0.622D-02-0.322D-01-0.812D-01 0.121D+00 0.983D+00
 Coeff:     -0.570D-06 0.339D-04-0.465D-04-0.194D-03-0.322D-03 0.617D-03
 Coeff:      0.378D-02 0.622D-02-0.322D-01-0.812D-01 0.121D+00 0.983D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=5.28D-08 MaxDP=5.47D-06 DE=-1.46D-11 OVMax= 5.84D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.63D-08    CP:  1.91D+00  1.19D+00  1.15D+00  1.14D+00  1.22D+00
                    CP:  1.20D+00  1.16D+00  1.41D+00  1.30D+00  1.75D+00
                    CP:  1.44D+00  1.18D+00
 E= -465.637284783928     Delta-E=       -0.000000000038 Rises=F Damp=F
 DIIS: error= 5.19D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -465.637284783928     IErMin=13 ErrMin= 5.19D-09
 ErrMax= 5.19D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.94D-14 BMatP= 3.60D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.566D-06 0.136D-04-0.640D-05-0.543D-04-0.154D-03-0.176D-03
 Coeff-Com:  0.959D-03 0.417D-02-0.252D-02-0.269D-01-0.572D-01 0.231D+00
 Coeff-Com:  0.851D+00
 Coeff:     -0.566D-06 0.136D-04-0.640D-05-0.543D-04-0.154D-03-0.176D-03
 Coeff:      0.959D-03 0.417D-02-0.252D-02-0.269D-01-0.572D-01 0.231D+00
 Coeff:      0.851D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=1.52D-08 MaxDP=2.04D-06 DE=-3.82D-11 OVMax= 1.26D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  6.16D-09    CP:  1.91D+00  1.19D+00  1.15D+00  1.14D+00  1.22D+00
                    CP:  1.20D+00  1.16D+00  1.41D+00  1.30D+00  1.77D+00
                    CP:  1.47D+00  1.27D+00  1.15D+00
 E= -465.637284783880     Delta-E=        0.000000000047 Rises=F Damp=F
 DIIS: error= 1.45D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=13 EnMin= -465.637284783928     IErMin=14 ErrMin= 1.45D-09
 ErrMax= 1.45D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.28D-15 BMatP= 3.94D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.313D-07-0.122D-05 0.379D-05 0.930D-05 0.856D-05-0.758D-04
 Coeff-Com: -0.270D-03 0.607D-04 0.266D-02 0.477D-02-0.211D-01-0.656D-01
 Coeff-Com:  0.125D+00 0.955D+00
 Coeff:     -0.313D-07-0.122D-05 0.379D-05 0.930D-05 0.856D-05-0.758D-04
 Coeff:     -0.270D-03 0.607D-04 0.266D-02 0.477D-02-0.211D-01-0.656D-01
 Coeff:      0.125D+00 0.955D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=4.73D-09 MaxDP=4.73D-07 DE= 4.73D-11 OVMax= 3.94D-08

 SCF Done:  E(RM11) =  -465.637284784     A.U. after   14 cycles
            NFock= 14  Conv=0.47D-08     -V/T= 2.0067
 KE= 4.625350374040D+02 PE=-2.299688475141D+03 EE= 7.621773665727D+02
 Leave Link  502 at Thu Aug 12 21:22:06 2021, MaxMem=  5368709120 cpu:            6176.2 elap:             773.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   397
 NBasis=   397 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    397 NOA=    42 NOB=    42 NVA=   355 NVB=   355

 **** Warning!!: The largest alpha MO coefficient is  0.83287650D+02

 Leave Link  801 at Thu Aug 12 21:22:07 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8355 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.49D-13 8.33D-09 XBig12= 1.00D+00 3.44D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.49D-13 8.33D-09 XBig12= 1.57D-01 4.08D-02.
     11 vectors produced by pass  2 Test12= 2.49D-13 8.33D-09 XBig12= 2.63D-02 7.06D-02.
     11 vectors produced by pass  3 Test12= 2.49D-13 8.33D-09 XBig12= 3.34D-03 1.23D-02.
     11 vectors produced by pass  4 Test12= 2.49D-13 8.33D-09 XBig12= 3.22D-04 2.71D-03.
     11 vectors produced by pass  5 Test12= 2.49D-13 8.33D-09 XBig12= 2.61D-05 6.13D-04.
     11 vectors produced by pass  6 Test12= 2.49D-13 8.33D-09 XBig12= 1.04D-06 1.39D-04.
     11 vectors produced by pass  7 Test12= 2.49D-13 8.33D-09 XBig12= 3.02D-08 2.87D-05.
     11 vectors produced by pass  8 Test12= 2.49D-13 8.33D-09 XBig12= 9.52D-10 4.80D-06.
     11 vectors produced by pass  9 Test12= 2.49D-13 8.33D-09 XBig12= 1.98D-11 5.11D-07.
      9 vectors produced by pass 10 Test12= 2.49D-13 8.33D-09 XBig12= 3.98D-13 6.13D-08.
      3 vectors produced by pass 11 Test12= 2.49D-13 8.33D-09 XBig12= 9.71D-15 1.02D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.20D-14
 Solved reduced A of dimension   122 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.172431D+03
      2  0.522766D+01  0.111274D+03
      3  0.329550D+01  0.296020D+01  0.114997D+03
 Isotropic polarizability for W=    0.085645      132.90 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.678136D+02 -0.264645D+02 -0.109366D+01
      2   0.624127D+02  0.399833D+01  0.897050D+01
      3   0.540084D+01  0.224661D+02 -0.787684D+01
      4  -0.387350D+02  0.979913D+02 -0.271760D+02
      5  -0.324416D+02 -0.293877D+02  0.951498D+01
      6  -0.130224D+02 -0.201524D+02 -0.116107D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.708977D+01 -0.898739D+01  0.536536D+01
      2   0.310442D+02 -0.893965D+01  0.625076D+01
      3   0.236611D+02 -0.417910D+02  0.141255D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.221163D+01 -0.291229D+02  0.340768D+02
      2   0.313480D+02 -0.141537D+02  0.411415D+01
      3  -0.122706D+02 -0.355786D+02  0.163653D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.204003D+01 -0.523608D+01 -0.453084D+01
      2  -0.523608D+01 -0.205445D-01  0.495201D+01
      3  -0.453084D+01  0.495201D+01 -0.392338D+01
 OR G Eigenvalues:    -7.4205    -4.1050     9.6216  Iso=     0.6346
 Eigenvectors:
   (1)   0.154901  -0.471399   0.868210
   (2)   0.722866   0.653109   0.225639
   (3)   0.673402  -0.592648  -0.441926
 w=    0.085645 a.u., Optical Rotation Beta=      0.6346 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =      197.71 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   79003 ScalPx= 4.13D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 4.23D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.14D-14 2.78D-09 XBig12= 1.00D+00 4.33D-01.
     30 vectors produced by pass  1 Test12= 4.14D-14 2.78D-09 XBig12= 3.76D-02 3.56D-02.
     30 vectors produced by pass  2 Test12= 4.14D-14 2.78D-09 XBig12= 5.47D-03 1.65D-02.
     30 vectors produced by pass  3 Test12= 4.14D-14 2.78D-09 XBig12= 7.46D-05 9.26D-04.
     30 vectors produced by pass  4 Test12= 4.14D-14 2.78D-09 XBig12= 1.32D-06 9.81D-05.
     30 vectors produced by pass  5 Test12= 4.14D-14 2.78D-09 XBig12= 2.85D-08 1.53D-05.
     30 vectors produced by pass  6 Test12= 4.14D-14 2.78D-09 XBig12= 3.19D-10 1.41D-06.
     30 vectors produced by pass  7 Test12= 4.14D-14 2.78D-09 XBig12= 3.11D-12 1.42D-07.
     18 vectors produced by pass  8 Test12= 4.14D-14 2.78D-09 XBig12= 3.11D-14 1.18D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   258 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 6.79D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 6.79D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 5.37D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.172431D+03  0.522766D+01  0.329550D+01
      2   0.522766D+01  0.111274D+03  0.296020D+01
      3   0.329550D+01  0.296020D+01  0.114997D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.708977D+01 -0.898739D+01  0.536536D+01
      2   0.310442D+02 -0.893965D+01  0.625076D+01
      3   0.236611D+02 -0.417910D+02  0.141255D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.678136D+02 -0.264645D+02 -0.109366D+01
      2   0.624127D+02  0.399833D+01  0.897050D+01
      3   0.540084D+01  0.224661D+02 -0.787684D+01
      4  -0.387350D+02  0.979913D+02 -0.271760D+02
      5  -0.324416D+02 -0.293877D+02  0.951498D+01
      6  -0.130224D+02 -0.201524D+02 -0.116107D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.286533D+01  0.238801D+01 -0.412445D+01  0.169011D+01  0.326794D+00
      2   0.238801D+01  0.205402D+00  0.399198D+01  0.326794D+00  0.291183D+01
      3  -0.412445D+01  0.399198D+01  0.633550D-01  0.402710D+01  0.184510D+01
                 6             7             8             9            10 
      1   0.402710D+01 -0.427038D+01  0.395228D+01  0.340318D+00  0.204247D+02
      2   0.184510D+01  0.395228D+01  0.232503D+01 -0.300226D-01 -0.379071D+01
      3  -0.783508D+00  0.340318D+00 -0.300226D-01 -0.186901D+01  0.433312D+01
                11            12            13            14            15 
      1  -0.379071D+01  0.433312D+01 -0.823596D+01  0.216593D+01 -0.437784D+01
      2   0.609228D+00 -0.372063D+01  0.216593D+01 -0.454515D+01 -0.292504D+01
      3  -0.372063D+01 -0.688071D+00 -0.437784D+01 -0.292504D+01 -0.305000D+00
                16            17            18            19            20 
      1   0.161785D+02 -0.486203D+01  0.230180D+00 -0.430702D+02 -0.592917D+00
      2  -0.486203D+01 -0.265053D+01 -0.137801D+00 -0.592917D+00 -0.468842D+01
      3   0.230180D+00 -0.137801D+00  0.866432D+00 -0.243132D+01  0.109827D+01
                21            22            23            24            25 
      1  -0.243132D+01  0.485891D+01 -0.947788D+01  0.221055D+01 -0.604021D+01
      2   0.109827D+01 -0.947788D+01 -0.131159D+01 -0.907538D+00  0.204876D+01
      3  -0.387269D-01  0.221055D+01 -0.907538D+00  0.238178D+01  0.210975D+00
                26            27            28            29            30 
      1   0.204876D+01  0.210975D+00  0.633935D+02  0.392011D+01  0.117844D+01
      2  -0.150009D+01  0.230076D+01  0.392011D+01  0.380232D+01 -0.741557D+00
      3   0.230076D+01  0.477771D+01  0.117844D+01 -0.741557D+00  0.153606D+01
                31            32            33            34            35 
      1   0.110147D+02  0.675610D+01 -0.172936D+01  0.910293D+01 -0.679445D+00
      2   0.675610D+01  0.307738D+01 -0.281146D+00 -0.679445D+00  0.128635D+01
      3  -0.172936D+01 -0.281146D+00 -0.116550D+01  0.167332D+01 -0.167955D+01
                36            37            38            39            40 
      1   0.167332D+01 -0.581327D+02 -0.349287D+01  0.254732D+01 -0.122630D+02
      2  -0.167955D+01 -0.349287D+01 -0.233331D+01  0.100074D+01 -0.505445D+01
      3  -0.327721D+01  0.254732D+01  0.100074D+01 -0.107516D+01  0.136696D+01
                41            42            43            44            45 
      1  -0.505445D+01  0.136696D+01 -0.118016D+02 -0.424997D+00 -0.382019D+01
      2  -0.240407D+01 -0.641699D+00 -0.424997D+00 -0.210132D+01  0.183106D+01
      3  -0.641699D+00  0.183907D+01 -0.382019D+01  0.183106D+01  0.263838D+01
                46            47            48            49            50 
      1   0.193847D+02  0.126668D+01 -0.307589D+01 -0.382210D+01 -0.558604D+00
      2   0.126668D+01 -0.109968D+01  0.963386D-01 -0.558604D+00 -0.562671D+00
      3  -0.307589D+01  0.963386D-01 -0.840322D+00  0.262409D+01 -0.869811D+00
                51            52            53            54            55 
      1   0.262409D+01 -0.229672D+02  0.769297D+00  0.816615D+01 -0.464504D+01
      2  -0.869811D+00  0.769297D+00  0.700333D+00 -0.840404D+00  0.629358D+00
      3  -0.139549D+01  0.816615D+01 -0.840404D+00 -0.549619D+01  0.271292D+01
                56            57            58            59            60 
      1   0.629358D+00  0.271292D+01  0.705261D+01 -0.165802D+01 -0.256388D+01
      2  -0.236708D+00 -0.445094D+00 -0.165802D+01  0.172182D+01  0.293641D+01
      3  -0.445094D+00 -0.990669D+00 -0.256388D+01  0.293641D+01  0.148413D+01
                61            62            63            64            65 
      1   0.231932D+02 -0.301720D+00 -0.930653D+01 -0.711377D+01  0.223744D+01
      2  -0.301720D+00  0.113037D+01  0.123970D+01  0.223744D+01 -0.231515D-01
      3  -0.930653D+01  0.123970D+01  0.107376D+02 -0.293171D+01  0.413392D+01
                66            67            68            69            70 
      1  -0.293171D+01  0.248663D+01 -0.111989D+01  0.408517D+01 -0.722635D+01
      2   0.413392D+01 -0.111989D+01  0.199033D+01  0.369798D+01  0.425784D+01
      3   0.105876D+01  0.408517D+01  0.369798D+01 -0.898604D+00 -0.153977D+00
                71            72            73            74            75 
      1   0.425784D+01 -0.153977D+00 -0.697658D+01 -0.169444D+01 -0.151940D+01
      2   0.329104D+01 -0.217154D+00 -0.169444D+01  0.208943D+01 -0.422445D+00
      3  -0.217154D+00  0.149542D+01 -0.151940D+01 -0.422445D+00  0.285264D+01
                76            77            78            79            80 
      1  -0.175679D+01  0.281592D+01 -0.719031D+00  0.484114D+00 -0.227595D+00
      2   0.281592D+01  0.526839D+01  0.332270D+01 -0.227595D+00  0.308633D+01
      3  -0.719031D+00  0.332270D+01 -0.958307D+00  0.251516D+01 -0.174553D+01
                81            82            83            84            85 
      1   0.251516D+01  0.684189D+01  0.259524D+01  0.869472D+00  0.564018D+01
      2  -0.174553D+01  0.259524D+01  0.429834D+01  0.327481D+01  0.601375D+01
      3  -0.358878D+01  0.869472D+00  0.327481D+01 -0.297566D+01  0.246510D+01
                86            87            88            89            90 
      1   0.601375D+01  0.246510D+01  0.775421D+01  0.560109D+01 -0.356117D+01
      2  -0.195494D+01 -0.134468D+00  0.560109D+01 -0.194576D+00 -0.395292D+00
      3  -0.134468D+00  0.658622D-01 -0.356117D+01 -0.395292D+00  0.794959D+00
                91            92            93            94            95 
      1   0.103181D+01 -0.148990D+01 -0.474410D+01 -0.280277D+01  0.409550D+00
      2  -0.148990D+01 -0.936604D+00 -0.118176D+01  0.409550D+00  0.416316D+01
      3  -0.474410D+01 -0.118176D+01  0.127796D+01 -0.110870D+01  0.372528D+01
                96            97            98            99           100 
      1  -0.110870D+01 -0.812702D+01 -0.127924D+01  0.330197D+01  0.118760D+02
      2   0.372528D+01 -0.127924D+01  0.308219D+01 -0.115128D+01  0.240534D+01
      3  -0.162848D+01  0.330197D+01 -0.115128D+01  0.389097D+01  0.244466D+01
               101           102           103           104           105 
      1   0.240534D+01  0.244466D+01  0.105324D+01  0.150118D+01  0.273954D+00
      2   0.184820D+01  0.592783D+00  0.150118D+01  0.603769D+00  0.189782D+00
      3   0.592783D+00  0.141143D+01  0.273954D+00  0.189782D+00  0.283043D+00
               106           107           108           109           110 
      1   0.457956D+00  0.200880D+00  0.121461D+01 -0.274229D+00  0.419730D+00
      2   0.200880D+00 -0.220286D+00  0.553234D+00  0.419730D+00 -0.894204D+00
      3   0.121461D+01  0.553234D+00  0.111170D+01  0.103611D+01 -0.287161D+00
               111           112           113           114           115 
      1   0.103611D+01  0.142483D+00 -0.168062D+00  0.530528D-01  0.908481D+00
      2  -0.287161D+00 -0.168062D+00  0.442665D+00  0.874043D+00  0.626710D-01
      3  -0.199565D+01  0.530528D-01  0.874043D+00  0.996692D+00 -0.550368D-02
               116           117           118           119           120 
      1   0.626710D-01 -0.550368D-02 -0.452495D+00 -0.425109D+00 -0.900755D+00
      2   0.163752D+01  0.173507D+01 -0.425109D+00  0.305238D+00 -0.112907D+00
      3   0.173507D+01  0.825342D+01 -0.900755D+00 -0.112907D+00 -0.373016D+00
               121           122           123           124           125 
      1  -0.174402D+01  0.389674D+00 -0.573141D-01 -0.105894D+01  0.318951D-01
      2   0.389674D+00 -0.523803D+00 -0.111083D+01  0.318951D-01 -0.111783D+01
      3  -0.573141D-01 -0.111083D+01 -0.136571D+01  0.644658D-01 -0.831993D+00
               126           127           128           129           130 
      1   0.644658D-01 -0.193672D+01  0.173592D+01  0.547776D-01  0.227287D+00
      2  -0.831993D+00  0.173592D+01 -0.409723D+01 -0.592164D+00 -0.184828D+01
      3  -0.761423D+01  0.547776D-01 -0.592164D+00 -0.314468D+00 -0.410684D+00
               131           132           133           134           135 
      1  -0.184828D+01 -0.410684D+00  0.217667D+00 -0.771498D+00  0.158083D+00
      2   0.850662D+01  0.773849D+00 -0.771498D+00  0.230476D+01  0.141891D+01
      3   0.773849D+00  0.937347D+00  0.158083D+00  0.141891D+01  0.571070D+00
               136           137           138           139           140 
      1   0.298760D+01  0.166758D+01 -0.193792D+01 -0.623204D-01  0.117389D+01
      2   0.166758D+01  0.164962D+01 -0.150632D+01  0.117389D+01  0.274976D+01
      3  -0.193792D+01 -0.150632D+01  0.233654D+01 -0.114564D+01 -0.167659D+01
               141           142           143           144           145 
      1  -0.114564D+01 -0.442807D+01 -0.255677D+01  0.284168D+01 -0.335428D+01
      2  -0.167659D+01 -0.255677D+01 -0.296428D+01  0.260533D+01  0.472567D+00
      3   0.143162D+01  0.284168D+01  0.260533D+01 -0.446823D+01  0.196018D+01
               146           147           148           149           150 
      1   0.472567D+00  0.196018D+01  0.154386D+01 -0.978253D+00 -0.563477D+00
      2  -0.111228D+01 -0.191965D+00 -0.978253D+00  0.645717D+00  0.240507D+00
      3  -0.191965D+00 -0.240662D+01 -0.563477D+00  0.240507D+00  0.128738D+01
               151           152           153           154           155 
      1   0.171747D+01 -0.444684D+00 -0.205012D+01  0.573457D+01 -0.291434D+01
      2  -0.444684D+00  0.719200D+00  0.556292D-01 -0.291434D+01  0.295088D+01
      3  -0.205012D+01  0.556292D-01  0.441288D+01  0.311475D+01 -0.224587D+01
               156           157           158           159           160 
      1   0.311475D+01 -0.167275D+01  0.195120D+01 -0.143910D+01  0.209023D+01
      2  -0.224587D+01  0.195120D+01 -0.293852D+01  0.151786D+01 -0.168886D+01
      3   0.284143D+01 -0.143910D+01  0.151786D+01 -0.130263D+01  0.216482D+01
               161           162           163           164           165 
      1  -0.168886D+01  0.216482D+01 -0.125398D+01 -0.173660D+01  0.873719D-02
      2   0.144995D+01 -0.193786D+01 -0.173660D+01 -0.242473D+01 -0.601601D+00
      3  -0.193786D+01  0.330422D+01  0.873719D-02 -0.601601D+00 -0.667601D+00
               166           167           168           169           170 
      1  -0.140159D+01 -0.146240D+01 -0.601459D+00 -0.483485D+00 -0.867450D+00
      2  -0.146240D+01 -0.655352D+01 -0.860838D+00 -0.867450D+00 -0.286032D+01
      3  -0.601459D+00 -0.860838D+00 -0.119151D+01 -0.510015D+00 -0.109638D+01
               171           172           173           174           175 
      1  -0.510015D+00  0.277813D+01  0.792501D+00 -0.129905D+01  0.204095D+01
      2  -0.109638D+01  0.792501D+00  0.760672D+00 -0.104168D+01  0.101266D+01
      3  -0.111103D+01 -0.129905D+01 -0.104168D+01  0.133312D+01 -0.188419D+01
               176           177           178           179           180 
      1   0.101266D+01 -0.188419D+01 -0.155196D+01 -0.115696D+01  0.220005D+01
      2   0.260393D+01 -0.189302D+01 -0.115696D+01 -0.188677D+01  0.157073D+01
      3  -0.189302D+01  0.258125D+01  0.220005D+01  0.157073D+01 -0.423400D+01
               181           182           183           184           185 
      1  -0.401889D+00 -0.850829D+00 -0.225224D+00 -0.133215D+01  0.208514D+00
      2  -0.850829D+00 -0.185579D+01 -0.138120D+01  0.208514D+00 -0.540292D+01
      3  -0.225224D+00 -0.138120D+01 -0.142922D+01 -0.197883D+00 -0.306581D+01
               186           187           188           189           190 
      1  -0.197883D+00 -0.254133D+00 -0.308340D+00  0.131841D+00  0.890493D+01
      2  -0.306581D+01 -0.308340D+00 -0.283279D+01 -0.239683D+01 -0.331277D+01
      3  -0.239857D+01  0.131841D+00 -0.239683D+01 -0.331138D+01  0.125425D+01
               191           192           193           194           195 
      1  -0.331277D+01  0.125425D+01 -0.291567D+01  0.253233D+01 -0.694332D+00
      2   0.202089D+01 -0.757007D+00  0.253233D+01 -0.222202D+01  0.699314D-01
      3  -0.757007D+00  0.126445D+01 -0.694332D+00  0.699314D-01 -0.513165D+00
               196           197           198           199           200 
      1   0.493995D+01 -0.181898D+01  0.145094D+01  0.143470D+01  0.543130D+00
      2  -0.181898D+01  0.102037D+01 -0.651901D+00  0.543130D+00 -0.366130D-01
      3   0.145094D+01 -0.651901D+00  0.122976D+01  0.847525D+00 -0.470264D-02
               201           202           203           204           205 
      1   0.847525D+00  0.132163D+01 -0.925026D+00  0.270806D+00  0.184055D+01
      2  -0.470264D-02 -0.925026D+00  0.676714D+00  0.107717D+01  0.534422D+00
      3  -0.710051D-01  0.270806D+00  0.107717D+01  0.118052D+01  0.487878D+00
               206           207           208           209           210 
      1   0.534422D+00  0.487878D+00 -0.142679D+01 -0.638772D+00 -0.127432D+01
      2   0.138494D+01  0.116649D+01 -0.638772D+00 -0.669167D-01 -0.878405D-01
      3   0.116649D+01  0.461493D+01 -0.127432D+01 -0.878405D-01  0.200373D+00
               211           212           213           214           215 
      1  -0.885228D+00  0.258933D+00 -0.742009D+00 -0.182015D+01 -0.571089D+00
      2   0.258933D+00 -0.557528D+00 -0.921084D+00 -0.571089D+00 -0.123044D+01
      3  -0.742009D+00 -0.921084D+00 -0.179665D+01 -0.991268D+00 -0.163689D+01
               216           217           218           219           220 
      1  -0.991268D+00 -0.874854D+00 -0.720827D+00  0.332152D+00 -0.310801D+01
      2  -0.163689D+01 -0.720827D+00  0.577797D+00  0.382957D+00 -0.184614D+01
      3  -0.661751D+01  0.332152D+00  0.382957D+00  0.227464D+00 -0.752862D+00
               221           222           223           224           225 
      1  -0.184614D+01 -0.752862D+00 -0.961774D+00 -0.408281D+00 -0.131517D+01
      2  -0.766250D+01 -0.276635D+01 -0.408281D+00 -0.220455D+01 -0.162745D+01
      3  -0.276635D+01 -0.194683D+01 -0.131517D+01 -0.162745D+01 -0.236520D+01
               226           227           228           229           230 
      1  -0.252688D+01  0.866821D+00 -0.657371D+00  0.245226D+01 -0.116308D+01
      2   0.866821D+00 -0.279950D+00  0.543635D+00 -0.116308D+01  0.168645D+01
      3  -0.657371D+00  0.543635D+00 -0.886149D+00  0.145957D+01 -0.234441D+01
               231           232           233           234           235 
      1   0.145957D+01 -0.319519D+01  0.446688D+00 -0.319525D+01 -0.948675D+01
      2  -0.234441D+01  0.446688D+00 -0.228421D+01  0.184727D+01 -0.280335D+00
      3   0.292624D+01 -0.319525D+01  0.184727D+01 -0.647028D+01  0.242710D+01
               236           237           238           239           240 
      1  -0.280335D+00  0.242710D+01  0.477528D+00 -0.125636D+01  0.151417D+00
      2  -0.103244D+01  0.206470D+00 -0.125636D+01 -0.409333D+00  0.128031D+00
      3   0.206470D+00 -0.165124D+01  0.151417D+00  0.128031D+00  0.255015D+00
               241           242           243 
      1   0.530118D+01  0.462111D+00 -0.224323D+01
      2   0.462111D+00  0.629613D+00  0.521439D-01
      3  -0.224323D+01  0.521439D-01  0.172360D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.556429D+01  0.920719D+01  0.665249D+01  0.876311D+01  0.978310D+01
      2  -0.753569D+01  0.185122D+01  0.782052D+01  0.573805D+01  0.195413D+01
      3  -0.350746D+01 -0.900954D+01  0.173322D+01 -0.110906D+01 -0.568669D+01
                 6             7             8             9            10 
      1  -0.107658D+01  0.646763D+01  0.606523D+01 -0.517997D+01  0.650799D+01
      2  -0.665097D+01  0.334708D+01 -0.628712D+01 -0.384356D+01  0.193049D+02
      3  -0.110413D+02  0.654717D+00 -0.126086D+02 -0.973037D+00  0.100701D+02
                11            12            13            14            15 
      1  -0.603329D+01 -0.420103D+00 -0.934343D+01 -0.562102D+01 -0.601534D+01
      2  -0.944182D+01  0.266134D+01 -0.131202D+02 -0.442333D+01 -0.110439D+01
      3  -0.264908D+01  0.797241D+01  0.780105D+01  0.113649D+02  0.114027D+02
                16            17            18            19            20 
      1   0.400432D+01  0.372360D+01 -0.516477D+00 -0.446430D+00  0.418537D+01
      2   0.273626D+01  0.713284D-01  0.259429D+01 -0.306256D+02 -0.952636D+00
      3   0.103818D+02  0.121166D+02  0.577660D+00 -0.184170D+02 -0.452588D+01
                21            22            23            24            25 
      1  -0.144122D+01  0.144881D+02  0.431115D+01 -0.160099D+01 -0.503622D+01
      2   0.165363D+01  0.202299D+01 -0.708062D+01  0.410901D+01 -0.153529D+02
      3  -0.246675D+01  0.417514D+01 -0.764704D+01  0.307791D+01 -0.343453D+01
                26            27            28            29            30 
      1   0.528618D+01 -0.416056D+01 -0.557213D+01 -0.266798D+00  0.140740D+00
      2   0.234084D+01  0.213102D+01  0.397274D+02  0.492187D+01 -0.365840D+01
      3   0.265714D+00 -0.110936D+01  0.186238D+02  0.950795D+01 -0.109657D+01
                31            32            33            34            35 
      1  -0.274709D+01 -0.279595D+01 -0.284125D+01  0.155878D+01 -0.303378D+00
      2   0.121571D+02  0.346405D+01 -0.122848D+01 -0.138234D+02 -0.108973D+01
      3   0.344315D+02  0.746531D+01  0.156260D+00 -0.105500D+01 -0.426128D+00
                36            37            38            39            40 
      1   0.344580D+01  0.386805D+01  0.151042D+01 -0.819863D+00  0.764337D+01
      2   0.161026D+01 -0.464055D+02 -0.405846D+01  0.130408D+02 -0.135975D+02
      3  -0.254567D+00 -0.150737D+02 -0.124214D+02  0.162789D+01 -0.109216D+02
                41            42            43            44            45 
      1   0.920228D+00 -0.487117D+01  0.184533D+01  0.473437D+00  0.721644D+00
      2  -0.290002D+01 -0.144862D+01 -0.136843D+02 -0.371258D+01 -0.654703D+01
      3  -0.643433D+01 -0.124308D+01  0.646709D+00  0.942931D-01  0.131584D+01
                46            47            48            49            50 
      1  -0.350861D-02 -0.260193D+01  0.249536D+01  0.464686D+01 -0.359807D+01
      2   0.119898D+02  0.319170D+01 -0.415623D+01 -0.463215D+01  0.236856D+01
      3   0.241429D+00  0.131539D+02 -0.469255D+01  0.260899D+02  0.213473D+01
                51            52            53            54            55 
      1  -0.673796D+01  0.290452D+01 -0.362925D+01  0.197752D+01 -0.128632D+01
      2   0.604776D+01 -0.492281D+02 -0.258778D+00  0.271140D+02 -0.285758D+01
      3  -0.166918D+01 -0.517704D+01 -0.876784D+01 -0.125767D+01  0.880141D+00
                56            57            58            59            60 
      1   0.100897D+01 -0.624202D+00  0.409767D+00  0.267073D+01 -0.165429D+01
      2   0.107104D+01  0.717183D+01  0.797110D+01 -0.844959D+01 -0.792699D+01
      3  -0.754323D+01 -0.660956D-01 -0.701727D+01  0.554346D+01  0.778625D+01
                61            62            63            64            65 
      1  -0.173685D+01  0.862811D+01 -0.260742D+00 -0.559453D+01  0.578045D+01
      2   0.290876D+02 -0.357240D+01 -0.434746D+02 -0.163327D+02  0.164908D+02
      3   0.401724D+01  0.124194D+02  0.275113D+01 -0.130698D+01 -0.454742D+01
                66            67            68            69            70 
      1  -0.485892D+01  0.831596D+01  0.264497D+01 -0.811241D+01 -0.771217D+01
      2   0.200431D+01  0.157888D+02  0.121529D+02  0.231443D+01 -0.103880D+02
      3  -0.113344D+02  0.578829D+01 -0.675394D+01 -0.187710D+02 -0.121828D+02
                71            72            73            74            75 
      1  -0.170650D+01  0.375781D+01 -0.178591D+01  0.598387D+01 -0.518689D+01
      2   0.500711D+01  0.695912D+01  0.764311D+01  0.215231D+01  0.133925D+02
      3  -0.169831D+02  0.117437D+01 -0.205828D+01 -0.134679D+02  0.543258D+00
                76            77            78            79            80 
      1   0.265327D+01  0.145365D+01  0.486035D+01 -0.427188D+01  0.971960D+01
      2   0.318988D+00  0.621782D+01 -0.320171D+01  0.479722D+01 -0.578490D+01
      3  -0.681037D+01 -0.120573D+02 -0.125098D+02  0.227307D+01 -0.117040D+02
                81            82            83            84            85 
      1   0.200302D+01 -0.393400D+01 -0.133344D+02  0.762313D+01 -0.157020D+02
      2  -0.145976D+02  0.720017D+01  0.711639D+01 -0.298287D+01  0.861778D+01
      3   0.960713D+01  0.189354D+01 -0.753596D+01 -0.563645D+01  0.650248D+01
                86            87            88            89            90 
      1   0.956777D+00 -0.355528D+01  0.550474D+01  0.289687D+01 -0.834295D+00
      2   0.425533D+01  0.187224D+01 -0.357948D+01  0.271495D+01 -0.115799D+01
      3   0.157361D+02  0.769976D+01 -0.111379D+01  0.137703D+02 -0.905340D+01
                91            92            93            94            95 
      1  -0.703220D+00  0.223967D+01  0.125773D+01 -0.571898D+01 -0.270709D+01
      2   0.201465D+02  0.321571D+01 -0.527301D+01  0.373687D+01 -0.161720D+02
      3  -0.715191D+01 -0.109751D+02 -0.286752D+01  0.128747D+02  0.198632D+02
                96            97            98            99           100 
      1  -0.869899D+01  0.462628D+01 -0.110283D+01  0.380936D+01 -0.816767D+00
      2   0.790899D+01 -0.239638D+02  0.374909D+01 -0.140522D+02 -0.515432D+01
      3   0.215828D+02 -0.484651D+01  0.124972D+02 -0.769896D+01  0.710299D+01
               101           102           103           104           105 
      1   0.203835D+01 -0.168621D+01  0.402058D+00  0.159022D+00 -0.145398D+01
      2  -0.326904D+00  0.508138D+01 -0.627238D+00 -0.709598D+00  0.855619D+00
      3  -0.654699D+01  0.955702D+00 -0.708816D+00 -0.205654D+00  0.482915D+00
               106           107           108           109           110 
      1  -0.107819D+01  0.408194D-01 -0.761538D+00 -0.876122D+00 -0.186566D+01
      2   0.152762D+01  0.121062D+01  0.245781D+01  0.482579D+01 -0.112733D+01
      3   0.205879D+00  0.609107D+00 -0.226286D+00 -0.194246D+01  0.207845D+01
               111           112           113           114           115 
      1   0.229398D+01 -0.888805D+00 -0.847857D+00 -0.139528D+01  0.369085D+00
      2  -0.633574D+01 -0.405694D+00  0.312994D+01  0.271725D+01 -0.522266D+01
      3   0.195117D+01  0.234135D+01 -0.989135D+00 -0.207515D+01  0.166284D+01
               116           117           118           119           120 
      1   0.256811D+01 -0.798322D+01  0.125921D+01  0.471920D+00  0.218457D+00
      2   0.452975D+01  0.234847D+02 -0.247010D+01 -0.635475D+00  0.909472D-01
      3  -0.363339D+01 -0.493012D+01  0.248025D+00 -0.137840D+01 -0.457023D+00
               121           122           123           124           125 
      1   0.749702D+00  0.170361D+01  0.476482D+00 -0.887211D-01  0.481322D+01
      2  -0.162417D+01 -0.534656D+00 -0.153316D+01 -0.428683D+01 -0.543041D+00
      3   0.259647D+01  0.372775D+00  0.641606D+00 -0.414257D+00  0.211052D+00
               126           127           128           129           130 
      1   0.390943D+01 -0.680829D+00  0.316535D+01  0.218706D+01  0.170589D+01
      2  -0.710299D+01 -0.499410D+00 -0.670273D+00  0.369898D+00 -0.150749D+01
      3   0.701138D+00 -0.900698D+01  0.968710D+01  0.125259D+01  0.894623D+01
               131           132           133           134           135 
      1  -0.499847D+01 -0.529911D+01  0.378743D-01 -0.283208D+01 -0.249552D+01
      2   0.412698D+00  0.482164D+00 -0.101026D+01  0.199351D+01  0.101227D+01
      3  -0.187284D+02 -0.208682D+01  0.279402D+01 -0.588052D+01 -0.217699D+01
               136           137           138           139           140 
      1   0.371257D+01  0.205137D+01 -0.562185D+01  0.236414D+01  0.193812D+01
      2  -0.871899D+00 -0.177463D+01  0.469011D+01 -0.197998D+01 -0.240181D+01
      3   0.394871D+01 -0.193210D+01 -0.121503D+01  0.174170D+00 -0.354257D+01
               141           142           143           144           145 
      1  -0.334117D+01 -0.507442D+01 -0.143359D+01  0.986100D+01  0.610867D+01
      2   0.260491D+01  0.199154D+00  0.316913D+01 -0.652213D+01  0.111504D+02
      3   0.532665D+00 -0.397077D+01  0.138713D+01  0.993363D+00  0.632843D+01
               146           147           148           149           150 
      1  -0.421464D+01 -0.489245D+01 -0.399440D+01  0.288629D+01  0.145181D+01
      2  -0.160152D+01 -0.534960D+01 -0.460737D+01  0.213458D+01  0.262445D+01
      3  -0.565313D+00 -0.355859D+01  0.263000D+00  0.727859D+00  0.900026D+00
               151           152           153           154           155 
      1  -0.517642D+01  0.352431D+01  0.787856D+01  0.191355D+01  0.365170D+00
      2  -0.844484D+01  0.112882D+01  0.899183D+01 -0.246755D+01 -0.892809D+00
      3  -0.336484D+01  0.132463D+01  0.416034D+01 -0.479836D+01 -0.252711D+01
               156           157           158           159           160 
      1   0.314265D+01 -0.155188D+00 -0.137284D+01 -0.212981D+01  0.146129D+01
      2   0.326546D+01  0.183002D+01  0.328242D+00 -0.635827D+00 -0.174210D+01
      3  -0.737799D+00  0.227122D+01  0.270878D+01  0.300975D+00 -0.274321D+01
               161           162           163           164           165 
      1  -0.415855D-01  0.414560D+01 -0.238088D+01 -0.449739D+01 -0.348501D+01
      2  -0.853736D+00  0.383196D+01  0.196758D+01  0.159734D+01  0.183280D+00
      3   0.347335D-01 -0.300067D+00  0.788357D+01  0.651976D+01  0.133227D+01
               166           167           168           169           170 
      1  -0.341862D+01 -0.994567D+01 -0.600135D+01 -0.248049D+01 -0.403249D+01
      2   0.102733D+01  0.180856D+01  0.131075D+00 -0.125797D+01 -0.401938D-01
      3   0.790759D+01  0.140555D+02  0.270824D+01  0.377789D+01  0.677199D+01
               171           172           173           174           175 
      1  -0.470882D+01 -0.250046D+01 -0.264551D+01  0.254365D+01 -0.271896D+01
      2  -0.285958D+00 -0.120063D+01 -0.251489D+01  0.419379D+01 -0.273409D+01
      3   0.324817D+01 -0.419681D+01 -0.440365D+01  0.482847D+01 -0.341266D+01
               176           177           178           179           180 
      1  -0.748192D+01  0.391866D+01  0.367518D+01  0.648248D+01 -0.583790D+01
      2  -0.551412D+01  0.723504D+01  0.331834D+01  0.412895D+01 -0.119755D+02
      3  -0.111934D+02  0.782756D+01  0.478428D+01  0.832672D+01 -0.708877D+01
               181           182           183           184           185 
      1   0.719895D+00  0.734347D+00 -0.942283D+00 -0.654788D-01  0.283353D+01
      2  -0.265202D+01 -0.547303D+01 -0.387588D+01 -0.344624D+01 -0.106431D+02
      3   0.491812D+01  0.610432D+01  0.475643D+01  0.345714D+01  0.176063D+02
               186           187           188           189           190 
      1  -0.199119D+01  0.642927D+00  0.191574D+01 -0.268586D+01  0.502764D+01
      2  -0.841579D+01 -0.188220D+01 -0.857226D+01 -0.105614D+02  0.122744D+02
      3   0.106571D+02  0.271607D+01  0.102573D+02  0.827338D+01  0.257431D+00
               191           192           193           194           195 
      1  -0.281360D+01  0.342097D+01 -0.320967D+01  0.191330D+01 -0.190544D+01
      2  -0.594428D+01  0.858599D+01 -0.527632D+01  0.241510D+01 -0.360318D+01
      3  -0.599718D+01  0.122203D+01 -0.316359D+01  0.556213D+01  0.670306D+00
               196           197           198           199           200 
      1   0.311089D+01 -0.427407D+00  0.251988D+01  0.305254D+00 -0.564966D+00
      2   0.713897D+01 -0.341377D+01  0.649445D+01  0.477338D+00  0.200224D+00
      3   0.185438D+01 -0.234174D+01  0.554478D+00  0.996799D+00  0.785434D-01
               201           202           203           204           205 
      1   0.989994D-01 -0.487850D+01  0.518332D-02 -0.128906D+01  0.801133D+00
      2  -0.534759D+00 -0.169763D+01 -0.194869D+01 -0.102720D+00 -0.437623D+01
      3   0.485525D+00  0.145257D+01  0.445788D+00  0.907928D+00  0.192359D+01
               206           207           208           209           210 
      1   0.295212D+01 -0.357268D+01  0.162809D+01  0.542819D-01  0.882184D-01
      2   0.584701D+00 -0.291358D+01  0.138870D+01 -0.392522D+00 -0.909200D+00
      3   0.151625D+01 -0.226929D-01 -0.296161D+01 -0.826899D+00 -0.126749D+00
               211           212           213           214           215 
      1  -0.619993D+01  0.534986D+00 -0.195060D+00  0.215801D+01  0.448999D+01
      2   0.162339D+01  0.190484D+01  0.279584D+01 -0.324924D+01  0.252293D+01
      3   0.101923D+02 -0.832971D-02 -0.164949D+01 -0.317950D+01 -0.297500D+01
               216           217           218           219           220 
      1   0.454474D+00 -0.109937D+00 -0.676477D+00 -0.277740D+00  0.196483D+01
      2   0.108070D+02 -0.683611D+00 -0.197354D+01  0.617039D+00 -0.924145D+00
      3  -0.334501D+01 -0.410287D+00  0.332570D+01  0.239849D+01 -0.658403D+01
               221           222           223           224           225 
      1   0.595943D+01 -0.201712D+00  0.172037D-01  0.215324D+01 -0.186520D-01
      2   0.100105D+02  0.735989D+01  0.321209D+01  0.639975D+01  0.840165D+01
      3  -0.345128D+02 -0.132327D+02 -0.831264D+00 -0.966621D+01 -0.719187D+01
               226           227           228           229           230 
      1  -0.436399D+00  0.629358D+00 -0.793247D+00  0.237374D+01 -0.318747D+01
      2   0.397211D+00 -0.152742D+01  0.426356D+01 -0.417111D+01  0.927705D+01
      3   0.202892D+01 -0.292721D+01  0.212757D+01 -0.782716D+01  0.782713D+01
               231           232           233           234           235 
      1   0.270698D+01 -0.259642D+01  0.455541D+01 -0.480769D+01  0.164082D+01
      2  -0.122210D+02  0.897995D+01 -0.783877D+01  0.254207D+02 -0.170843D+02
      3  -0.121221D+02  0.486633D+01 -0.999798D+01  0.111456D+02  0.279182D+01
               236           237           238           239           240 
      1   0.886219D-01 -0.111346D+01  0.907862D+00  0.403356D+00 -0.538812D+00
      2  -0.102211D+01  0.114813D+02 -0.481027D+00 -0.105672D+01 -0.985793D+00
      3  -0.631128D+01 -0.413980D+00 -0.349742D+01 -0.104721D+01  0.713353D+00
               241           242           243 
      1  -0.131548D+01  0.856530D+00  0.822351D+00
      2   0.109348D+02 -0.191501D+00 -0.992424D+01
      3  -0.245202D+00  0.338214D+01  0.112616D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.734436D+01  0.749615D+01 -0.650914D+01  0.355232D+01  0.339132D+01
      2  -0.100141D+01 -0.174029D+02 -0.886788D+01 -0.124613D+02 -0.149963D+02
      3  -0.634295D+01  0.990672D+01  0.153770D+02  0.890894D+01  0.116050D+02
      4   0.154200D+02 -0.105013D+02  0.240304D+02 -0.746000D+01  0.730582D+01
      5  -0.191853D+02  0.199562D+02 -0.102384D+02  0.197658D+02  0.371639D+01
      6   0.151447D+02 -0.166047D+02  0.879992D+01 -0.118511D+02 -0.698239D+01
                 6             7             8             9            10 
      1   0.219019D+02 -0.639887D+01  0.218992D+02  0.162757D+01  0.139906D+01
      2  -0.167324D+02 -0.102515D+02 -0.189201D+02  0.448142D+01  0.874483D+01
      3  -0.516948D+01  0.166503D+02 -0.297903D+01 -0.610900D+01 -0.101439D+02
      4  -0.689545D+01  0.245087D+02 -0.898088D+01  0.257522D+01 -0.164081D+02
      5   0.599240D+01 -0.907834D+01  0.879566D+01 -0.615062D+01  0.153129D+02
      6   0.341246D+01  0.730289D+01  0.219384D+01  0.224184D+01 -0.111932D+02
                11            12            13            14            15 
      1  -0.534393D+01  0.808159D+01 -0.971408D+01 -0.809863D+01 -0.225843D+02
      2   0.426692D+01  0.705575D-01  0.451513D+01  0.121498D+02  0.106286D+02
      3   0.107701D+01 -0.815215D+01  0.519894D+01 -0.405114D+01  0.119557D+02
      4   0.373291D+01 -0.207770D+02  0.705898D+01 -0.256397D+02 -0.852420D+01
      5  -0.178227D+02 -0.712014D+01 -0.196919D+02 -0.180201D+02 -0.361746D+00
      6   0.949999D+01 -0.171559D+01 -0.144991D+01  0.157868D+01 -0.670444D+01
                16            17            18            19            20 
      1   0.718274D+01 -0.216838D+02 -0.703288D+01  0.400351D+02  0.955028D+01
      2   0.690190D+01  0.129799D+02 -0.132664D+01 -0.432182D+02 -0.135460D+02
      3  -0.140846D+02  0.870392D+01  0.835952D+01  0.318306D+01  0.399568D+01
      4  -0.288667D+02 -0.339026D+01  0.167630D+00  0.788165D+00 -0.129358D+02
      5  -0.843918D+01  0.306135D-02  0.398624D+01  0.519035D+01  0.295189D+01
      6  -0.176462D+01 -0.453035D+01 -0.166771D+00  0.700825D+01 -0.196466D+01
                21            22            23            24            25 
      1   0.290631D+01  0.207150D+02  0.478750D+01  0.599732D+01  0.964005D+00
      2  -0.229513D+01 -0.199720D+02 -0.129515D+02  0.172305D+01 -0.552096D+01
      3  -0.611176D+00 -0.743029D+00  0.816397D+01 -0.772037D+01  0.455696D+01
      4   0.430689D+01 -0.346792D+02 -0.458696D+01 -0.324017D+01  0.110950D+02
      5   0.445180D+01  0.260355D+01  0.268909D+01  0.446222D+01  0.442896D+01
      6   0.245152D+01  0.705353D+01  0.506180D+01  0.145799D+01  0.225100D+01
                26            27            28            29            30 
      1   0.862759D+01  0.171196D+02 -0.119787D+03 -0.703583D+01  0.495161D+01
      2  -0.256328D+01  0.719607D+01  0.889512D+02  0.522343D+01 -0.180174D+01
      3  -0.606431D+01 -0.243157D+02  0.308354D+02  0.181241D+01 -0.314987D+01
      4  -0.691833D+01  0.726857D+01  0.400256D+01 -0.112143D+02  0.218454D+01
      5   0.458331D+01  0.651790D+01 -0.770915D+01  0.189701D+01 -0.115983D+02
      6   0.806460D+00 -0.834973D-03 -0.130486D+02 -0.632837D+01  0.162941D+01
                31            32            33            34            35 
      1  -0.298893D+02 -0.229523D+02  0.654622D+01 -0.282114D+02  0.189812D+01
      2   0.248634D+02  0.226341D+02 -0.491227D+01  0.176010D+02 -0.266338D+01
      3   0.502588D+01  0.318250D+00 -0.163395D+01  0.106103D+02  0.765259D+00
      4  -0.285694D+01 -0.750542D+01  0.197365D+01 -0.209544D+01  0.109496D+00
      5  -0.122739D+01 -0.152848D-01 -0.223299D+01  0.600959D-02  0.179699D+01
      6  -0.309633D+01 -0.733125D+01  0.495368D+01 -0.164449D+01 -0.185304D+00
                36            37            38            39            40 
      1  -0.315543D+01  0.147586D+03  0.106499D+02 -0.869216D+01  0.301210D+02
      2  -0.281988D+01 -0.106010D+03 -0.676574D+01  0.594261D+01 -0.158192D+02
      3   0.597531D+01 -0.415765D+02 -0.388415D+01  0.274955D+01 -0.143019D+02
      4   0.182837D+01 -0.448597D+01  0.179583D+02 -0.194729D+01  0.300592D+02
      5   0.298365D+01 -0.797392D+01 -0.324674D+01  0.197066D+02 -0.451420D+01
      6  -0.507625D+01  0.153855D+02  0.644435D+01 -0.325684D+01  0.115255D+02
                41            42            43            44            45 
      1   0.164302D+01  0.272882D+01  0.318116D+02  0.899447D+01  0.124252D+02
      2   0.431075D+01  0.292021D+01 -0.196236D+02 -0.356815D+01 -0.265374D+00
      3  -0.595377D+01 -0.564903D+01 -0.121881D+02 -0.542632D+01 -0.121598D+02
      4   0.627134D+01  0.335201D+01 -0.199329D+01  0.464623D+01 -0.697651D+01
      5   0.352933D+01 -0.472240D+01  0.254433D+02 -0.500123D+01 -0.835787D+01
      6   0.736760D+00  0.486674D+01 -0.267441D+01  0.419962D+01 -0.614335D+01
                46            47            48            49            50 
      1  -0.667734D+02 -0.500537D+01 -0.831063D+01 -0.283437D+01 -0.400012D+01
      2   0.485067D+02 -0.198892D+01  0.132006D+01 -0.356769D+01  0.677771D+01
      3   0.182666D+02  0.699429D+01  0.699057D+01  0.640206D+01 -0.277759D+01
      4  -0.603353D+01 -0.163971D+02 -0.433295D+01  0.358476D+00  0.148972D+01
      5   0.170297D+01 -0.154976D+01 -0.158112D+02 -0.209786D+02  0.584892D+01
      6  -0.116918D+02 -0.251300D+01 -0.670492D+00  0.154925D+01 -0.418755D+01
                51            52            53            54            55 
      1  -0.760107D+01  0.325079D+02 -0.491356D+01 -0.144275D+02  0.270824D+02
      2   0.911376D+01 -0.367000D+02 -0.278278D+00  0.193046D+02 -0.163261D+02
      3  -0.151269D+01  0.419216D+01  0.519184D+01 -0.487712D+01 -0.107564D+02
      4   0.728412D+01 -0.235861D+02  0.498975D+01  0.887122D+01 -0.722442D+01
      5   0.610042D+01 -0.561697D+02  0.414122D+01  0.415816D+02 -0.200093D+02
      6   0.383133D+01  0.117441D+02 -0.582038D+01 -0.662670D+01  0.195822D+01
                56            57            58            59            60 
      1  -0.342494D+01 -0.114025D+02 -0.188777D+02 -0.117638D+01  0.232336D+01
      2   0.308980D+01  0.769212D+01  0.124666D+02  0.123654D+01 -0.276417D+01
      3   0.335142D+00  0.371041D+01  0.641116D+01 -0.601597D-01  0.440811D+00
      4   0.124017D+02  0.460646D+01  0.207962D+02 -0.135087D+02 -0.204821D+02
      5   0.376725D+01  0.205049D+02  0.159606D+02 -0.201523D+02 -0.105734D+02
      6  -0.122289D+01 -0.132306D+01 -0.972665D+01  0.776021D+01  0.132006D+02
                61            62            63            64            65 
      1  -0.600282D+02 -0.281664D+01 -0.421331D+00 -0.321154D+02  0.213954D+02
      2   0.488912D+02  0.202420D+01 -0.297777D+02  0.707319D+01 -0.458793D+01
      3   0.111370D+02  0.792448D+00  0.301990D+02  0.250422D+02 -0.168074D+02
      4   0.130753D+02 -0.149715D+02 -0.140939D+02  0.220515D+02 -0.668954D+01
      5   0.626476D+02 -0.863189D+01 -0.742121D+02 -0.175814D+02  0.237647D+02
      6  -0.103993D+02  0.142711D+02  0.856308D+01  0.878121D+01 -0.107287D+02
                66            67            68            69            70 
      1  -0.127220D+02  0.155330D+02  0.517520D+01  0.353620D+02 -0.230287D+02
      2  -0.792552D+00  0.121514D+01 -0.730622D+00 -0.260209D+02  0.174527D+01
      3   0.135146D+02 -0.167482D+02 -0.444458D+01 -0.934104D+01  0.212834D+02
      4   0.290291D+02 -0.119251D+02  0.781111D+01  0.125380D+02  0.346263D+02
      5   0.642693D+01  0.247223D+02  0.181602D+02 -0.132154D+02  0.293826D+01
      6  -0.878942D+01 -0.640342D+01 -0.114504D+02 -0.941317D+01 -0.716460D+01
                71            72            73            74            75 
      1   0.363436D+02  0.293554D+01 -0.537159D+02 -0.161940D+02 -0.137102D+02
      2  -0.260276D+02  0.130805D+01  0.230960D+02  0.886394D+01 -0.335568D+01
      3  -0.103159D+02 -0.424359D+01  0.306198D+02  0.733005D+01  0.170659D+02
      4   0.891507D+01 -0.587373D+01 -0.221267D+02  0.229473D+01 -0.292899D+01
      5  -0.993817D+01  0.748504D+01 -0.167570D+02 -0.354307D+01  0.105069D+02
      6  -0.970702D+01 -0.667181D+00 -0.281058D+01 -0.345933D+01  0.673336D+01
                76            77            78            79            80 
      1  -0.136682D+02  0.117002D+02 -0.386997D+01 -0.215589D+01 -0.255460D+01
      2   0.109127D+02 -0.628315D+01  0.108361D+02 -0.647356D+01  0.835462D+01
      3   0.275552D+01 -0.541701D+01 -0.696613D+01  0.862945D+01 -0.580003D+01
      4   0.113657D+02  0.268931D+02  0.145383D+02  0.414705D+00  0.740518D+01
      5  -0.545868D+01  0.225538D+02 -0.493411D+01  0.134991D+02 -0.578180D+01
      6   0.432225D+01  0.101774D+02  0.111453D+01  0.587465D+01 -0.837151D+00
                81            82            83            84            85 
      1   0.234599D+02 -0.956788D+01 -0.106128D+02 -0.945667D+01 -0.111142D+02
      2  -0.186092D+01  0.164868D+02  0.261527D+02  0.149357D+02  0.233451D+02
      3  -0.215990D+02 -0.691897D+01 -0.155399D+02 -0.547904D+01 -0.122310D+02
      4  -0.224420D+01  0.908871D+01  0.962145D+01  0.118657D+02  0.206180D+02
      5  -0.119105D+02  0.311401D+01  0.124747D+02 -0.162323D+02  0.125853D+02
      6  -0.908845D+01  0.209440D+01  0.140761D+02 -0.134979D+02  0.642638D+01
                86            87            88            89            90 
      1   0.130550D+02  0.103456D+02 -0.265829D+02  0.120477D+02 -0.982311D+01
      2  -0.137473D+02 -0.915494D+01  0.303075D+02 -0.104072D+02  0.581853D+01
      3   0.692350D+00 -0.119062D+01 -0.372461D+01 -0.164052D+01  0.400458D+01
      4   0.970079D+01  0.634776D+01  0.216473D+02  0.132161D+02 -0.104741D+02
      5  -0.154771D+01 -0.662475D+00 -0.216123D+02 -0.568580D+01  0.617315D+01
      6  -0.666752D+01 -0.346809D+01 -0.172483D+02 -0.604370D+01  0.798329D+01
                91            92            93            94            95 
      1  -0.163475D+02  0.741336D+01  0.404813D+02  0.196186D+02  0.127224D+02
      2   0.623973D+01 -0.185436D+01 -0.189106D+02 -0.155339D+02 -0.108761D+02
      3   0.101077D+02 -0.555901D+01 -0.215706D+02 -0.408471D+01 -0.184632D+01
      4   0.133385D+02  0.127382D+02  0.119518D+02 -0.450920D+01 -0.308450D+02
      5   0.465848D+02  0.111340D+02 -0.334276D+01  0.134281D+02 -0.283266D+02
      6   0.654410D+01  0.450730D+01  0.247490D+01 -0.315440D+01 -0.103169D+02
                96            97            98            99           100 
      1   0.109602D+02  0.605587D+02  0.113065D+02 -0.190106D+02  0.895696D+02
      2  -0.166620D+02 -0.282820D+02 -0.134070D+02  0.148928D+02 -0.445260D+02
      3   0.570179D+01 -0.322767D+02  0.210051D+01  0.411781D+01 -0.450436D+02
      4  -0.304499D+02  0.140002D+02 -0.237181D+02  0.121147D+02  0.345875D+02
      5   0.186066D+02 -0.228872D+02  0.126668D+02 -0.291897D+02  0.274503D+02
      6  -0.947486D+01  0.344105D+01 -0.577349D+01  0.583879D+01  0.737182D+01
               101           102           103           104           105 
      1   0.149199D+02  0.144106D+02  0.637137D+01  0.773631D+01  0.124658D+01
      2  -0.437767D+01 -0.892915D+01 -0.306831D+00  0.301785D+00 -0.118032D+01
      3  -0.105422D+02 -0.548148D+01 -0.606454D+01 -0.803810D+01 -0.662607D-01
      4   0.192184D+02  0.748586D+01  0.159617D+02  0.711175D+01  0.253902D+01
      5   0.630352D+01  0.151248D+02  0.324419D+01  0.205825D+01  0.215102D+01
      6   0.437960D+01  0.389068D+01  0.322236D+01  0.605532D+00  0.247879D+01
               106           107           108           109           110 
      1   0.284824D+01  0.108488D+01  0.589071D+01  0.133214D+01  0.473393D+01
      2  -0.303600D+01 -0.234252D+01 -0.585250D+01 -0.330998D+01 -0.289427D+01
      3   0.187761D+00  0.125764D+01 -0.382037D-01  0.197784D+01 -0.183966D+01
      4   0.225890D+01 -0.416941D+00  0.503768D+01  0.195300D+01 -0.205810D+01
      5   0.124489D+02  0.393290D+01  0.742141D+01  0.355801D+01  0.137349D+00
      6   0.317153D+01  0.203785D+01  0.309310D+01  0.316242D+01 -0.272609D+01
               111           112           113           114           115 
      1   0.108192D+02  0.189915D+01 -0.698317D+01 -0.362231D+01  0.691901D+01
      2   0.216932D+00 -0.138824D+01  0.221720D+01  0.133266D+01 -0.388763D+01
      3  -0.110361D+02 -0.510907D+00  0.476598D+01  0.228965D+01 -0.303137D+01
      4   0.129133D+01  0.135998D+01  0.872669D+00  0.341796D+01  0.309581D+01
      5  -0.360278D+01  0.116236D+01  0.224147D+01  0.397667D+01  0.560253D+01
      6  -0.493426D+01 -0.884595D+00  0.435000D+01  0.964835D+01  0.753520D+00
               116           117           118           119           120 
      1  -0.594673D+01 -0.247580D+02  0.270968D+00 -0.334434D-01 -0.273383D+01
      2   0.637390D+00 -0.127495D+02 -0.458218D+01 -0.910582D-01 -0.649986D+00
      3   0.530934D+01  0.375075D+02  0.431121D+01  0.124502D+00  0.338381D+01
      4   0.705099D+01  0.690625D+01 -0.120168D+01  0.281028D+01 -0.621865D-01
      5   0.787164D+01  0.342173D+02 -0.209163D-01  0.970956D+00  0.666344D+01
      6   0.983730D+01  0.203745D+02  0.670590D+00  0.389884D+00 -0.305525D+00
               121           122           123           124           125 
      1   0.548385D+00 -0.656960D+01 -0.413123D+01 -0.214885D+01 -0.144533D+01
      2  -0.461263D+00  0.243112D+01 -0.215957D+01  0.113275D+01 -0.229354D+01
      3  -0.871221D-01  0.413849D+01  0.629080D+01  0.101609D+01  0.373887D+01
      4   0.194832D+01 -0.195191D+01 -0.173073D+01 -0.262629D+00 -0.244559D+01
      5   0.126742D+01 -0.207464D+01 -0.260135D+01  0.548122D+01 -0.177241D+01
      6   0.124726D+00  0.117089D+01  0.637963D+01 -0.668754D+00  0.540099D+01
               126           127           128           129           130 
      1  -0.261988D+02 -0.792973D+01  0.193820D+02  0.253061D+01  0.105107D+02
      2  -0.137621D+02  0.101671D+02 -0.270161D+02 -0.348840D+01 -0.135941D+02
      3   0.399608D+02 -0.223741D+01  0.763413D+01  0.957785D+00  0.308341D+01
      4  -0.365334D+01 -0.434668D+01  0.214016D+01 -0.624166D+00  0.547689D+01
      5  -0.123124D+02  0.345764D+00 -0.130728D+01  0.153917D+01 -0.127317D+01
      6  -0.978673D+00  0.142146D+01 -0.304611D+01 -0.231537D+01 -0.139483D+01
               131           132           133           134           135 
      1  -0.369789D+02 -0.397330D+01  0.518455D+01 -0.101550D+02 -0.552252D+01
      2   0.567760D+02  0.570701D+01 -0.504419D+01  0.142920D+02  0.641157D+01
      3  -0.197971D+02 -0.173371D+01 -0.140366D+00 -0.413702D+01 -0.889050D+00
      4   0.102759D+02  0.183911D+00  0.521556D+00  0.253004D+01  0.267699D+01
      5   0.135038D+01  0.244764D+01  0.344341D+01  0.327219D+01  0.764292D+00
      6   0.526333D+01  0.785006D+01  0.364178D+00  0.103044D+02  0.371978D+01
               136           137           138           139           140 
      1   0.116468D+02  0.157706D+01 -0.257442D+01  0.274499D+01 -0.657770D+01
      2  -0.387912D+01  0.284191D+01 -0.712718D+00  0.744905D+00  0.122377D+02
      3  -0.776768D+01 -0.441897D+01  0.328714D+01 -0.348990D+01 -0.566003D+01
      4   0.182029D+02  0.153537D+02 -0.120658D+02  0.116280D+02  0.146045D+02
      5  -0.162219D+02 -0.100206D+02  0.165994D+02 -0.682231D+01 -0.998506D+01
      6  -0.103179D+02 -0.933059D+01  0.113408D+02 -0.767747D+01 -0.113475D+02
               141           142           143           144           145 
      1   0.267676D+01  0.472074D+00  0.609280D+01 -0.582230D+01 -0.740951D+01
      2  -0.473000D+01 -0.316317D+01 -0.830045D+01  0.117837D+00 -0.382209D+01
      3   0.205324D+01  0.269109D+01  0.220765D+01  0.570447D+01  0.112316D+02
      4  -0.106206D+02 -0.181871D+02 -0.172261D+02  0.164857D+02  0.702074D+01
      5   0.842731D+01  0.194847D+02  0.143002D+02 -0.240416D+02 -0.258419D+01
      6   0.107529D+02  0.151002D+02  0.174727D+02 -0.229724D+02 -0.380079D+01
               146           147           148           149           150 
      1  -0.363397D+01  0.111021D+02  0.668623D+00 -0.206791D+01 -0.556930D+01
      2   0.616460D+01  0.393030D+01  0.370739D+01 -0.256076D+00 -0.136571D+01
      3  -0.253063D+01 -0.150324D+02 -0.437601D+01  0.232399D+01  0.693501D+01
      4  -0.837996D+00 -0.642625D+01 -0.203315D+01  0.295120D+01  0.163937D+01
      5  -0.122821D+01  0.194677D+01 -0.763089D+00 -0.674259D+00  0.248140D+01
      6  -0.207949D+01  0.565989D+01 -0.148946D+01  0.253530D+01  0.889208D+00
               151           152           153           154           155 
      1   0.886293D+01 -0.122434D+01 -0.167597D+02  0.169380D+02 -0.239350D+01
      2   0.418368D+01 -0.184872D+01 -0.854575D+01 -0.842626D+01 -0.271435D+01
      3  -0.130466D+02  0.307306D+01  0.253054D+02 -0.851173D+01  0.510785D+01
      4  -0.777247D+01  0.254212D+01  0.526966D+01 -0.292417D+02  0.230661D+02
      5   0.376086D+01 -0.112536D+01  0.366923D+01  0.262484D+02 -0.152300D+02
      6   0.324658D+01  0.412048D+01 -0.930282D+01 -0.143426D+02  0.140229D+02
               156           157           158           159           160 
      1   0.305694D+01 -0.162762D+01 -0.321076D+01  0.136089D+01  0.384967D+01
      2  -0.403585D+01 -0.205232D+01  0.966603D+01 -0.178547D+01 -0.435878D+01
      3   0.978914D+00  0.367994D+01 -0.645527D+01  0.424573D+00  0.509107D+00
      4  -0.175548D+02  0.169173D+02 -0.179999D+02  0.111922D+02 -0.145242D+02
      5   0.213932D+02 -0.100282D+02  0.100077D+02 -0.878642D+01  0.179393D+02
      6  -0.138891D+02  0.997670D+01 -0.118206D+02  0.105121D+02 -0.110389D+02
               161           162           163           164           165 
      1   0.150553D+01 -0.245098D+01 -0.716737D+01 -0.118343D+02 -0.632879D-02
      2  -0.346787D+00 -0.485776D+01  0.929107D+01  0.175434D+02  0.343195D+01
      3  -0.115874D+01  0.730874D+01 -0.212370D+01 -0.570911D+01 -0.342562D+01
      4   0.114262D+02 -0.136266D+02  0.219793D+01  0.388676D+01 -0.985097D+00
      5  -0.118454D+02  0.197646D+02 -0.765251D+00 -0.428785D+01  0.251996D+00
      6   0.119861D+02 -0.154451D+02 -0.861450D+00 -0.444463D-01  0.265910D+01
               166           167           168           169           170 
      1  -0.716189D+01 -0.250892D+02 -0.343397D+01 -0.258764D+01 -0.108083D+02
      2   0.110226D+02  0.419814D+02  0.792656D+01  0.460899D+01  0.170709D+02
      3  -0.386068D+01 -0.168922D+02 -0.449259D+01 -0.202135D+01 -0.626257D+01
      4   0.523458D+01 -0.842132D+01  0.408222D+00  0.309116D+00 -0.390228D+01
      5  -0.421434D+01 -0.524043D+01 -0.411096D+01  0.105272D+00 -0.402256D+01
      6   0.859545D+00 -0.187696D+01  0.643341D+01  0.122773D+01  0.522194D+01
               171           172           173           174           175 
      1  -0.479109D+01  0.183012D+02  0.479848D+01 -0.860722D+01  0.135626D+02
      2   0.627336D+01 -0.127697D+02 -0.552805D+01  0.996595D+01 -0.118977D+02
      3  -0.148227D+01 -0.553146D+01  0.729569D+00 -0.135873D+01 -0.166487D+01
      4  -0.925442D+00  0.310010D+01  0.714074D+01 -0.649827D+01  0.768845D+01
      5  -0.295679D+01 -0.137732D+02 -0.902100D+01  0.140582D+02 -0.162339D+02
      6   0.553957D+01 -0.185319D+01 -0.695751D+00  0.133191D+01 -0.108319D+01
               176           177           178           179           180 
      1   0.437587D+01 -0.917228D+01 -0.954310D+01 -0.656376D+01  0.579182D+01
      2  -0.661839D+01  0.136090D+02  0.127989D+02  0.105578D+02 -0.181448D+02
      3   0.224252D+01 -0.443669D+01 -0.325577D+01 -0.399403D+01  0.123530D+02
      4   0.165920D+02 -0.106064D+02 -0.688522D+01 -0.108362D+02  0.872853D+01
      5  -0.130750D+02  0.193621D+02  0.200086D+02  0.122650D+02 -0.308246D+02
      6  -0.535199D+01  0.439146D+01  0.900614D+00  0.589862D+01 -0.115449D+01
               181           182           183           184           185 
      1  -0.403730D+01 -0.134719D+02 -0.736560D+01 -0.973176D+01 -0.220646D+02
      2   0.360272D+01  0.956007D+01  0.306752D+01  0.423021D+01  0.223361D+02
      3   0.434578D+00  0.391185D+01  0.429808D+01  0.550155D+01 -0.271552D+00
      4  -0.156545D+01 -0.346832D+01 -0.467324D+01  0.670298D+01 -0.251059D+02
      5   0.218046D+01 -0.361527D+01 -0.362810D+01  0.201993D+01 -0.138662D+02
      6   0.242087D+01  0.775891D+01  0.666592D+01  0.220609D+00  0.216568D+02
               186           187           188           189           190 
      1  -0.158585D+02 -0.333887D+01 -0.160148D+02 -0.142666D+02  0.727819D+02
      2   0.972792D+01  0.230685D+01  0.925438D+01  0.285542D+01 -0.282755D+02
      3   0.613053D+01  0.103202D+01  0.676046D+01  0.114112D+02 -0.445064D+02
      4  -0.140794D+02 -0.259054D-01 -0.133490D+02 -0.103907D+02 -0.401947D+02
      5  -0.110278D+02  0.425359D+01 -0.103340D+02 -0.158501D+02  0.284601D+01
      6   0.169169D+02  0.572514D+00  0.163765D+02  0.163961D+02 -0.142141D+01
               191           192           193           194           195 
      1  -0.217252D+02  0.107965D+02 -0.207201D+02  0.111404D+02 -0.555582D+01
      2   0.391602D+01 -0.210267D+01  0.251175D+01  0.120027D+01  0.140534D+01
      3   0.178092D+02 -0.869388D+01  0.182083D+02 -0.123406D+02  0.415048D+01
      4   0.230380D+02 -0.745026D+01  0.261148D+02 -0.200615D+02  0.290161D+01
      5  -0.273487D+01  0.111035D+02 -0.218634D+01 -0.121435D+00 -0.326721D+01
      6   0.431346D+00 -0.301693D+01  0.588145D-01  0.103311D+01  0.399086D+01
               196           197           198           199           200 
      1   0.276330D+02 -0.101226D+02  0.968510D+01 -0.658898D+00 -0.854764D+00
      2  -0.878228D+01  0.203223D+01 -0.387793D+01  0.151638D+01  0.549005D+00
      3  -0.188507D+02  0.809039D+01 -0.580718D+01 -0.857480D+00  0.305759D+00
      4  -0.186072D+02  0.107112D+02 -0.662858D+01  0.302710D+00  0.119722D+01
      5   0.108855D+02 -0.391812D+01  0.951745D+01 -0.949107D+00  0.522899D+00
      6  -0.339204D+01  0.347046D+01 -0.376699D+01  0.122101D+01 -0.247469D-01
               201           202           203           204           205 
      1  -0.128309D+01 -0.180804D+01 -0.144611D+01 -0.432325D+01 -0.523642D+01
      2   0.976861D+00 -0.186764D+01  0.774377D+00  0.237548D+01  0.254200D+01
      3   0.306230D+00  0.367568D+01  0.671732D+00  0.194776D+01  0.269443D+01
      4   0.929076D+00  0.274627D+00 -0.116883D+01 -0.179921D+01  0.117171D+01
      5   0.170391D+01  0.556584D+00 -0.109171D+01 -0.619766D+00  0.128443D+01
      6   0.137347D+00 -0.119918D+01  0.333270D+01  0.335194D+01  0.116458D+01
               206           207           208           209           210 
      1  -0.540695D+01 -0.122074D+02  0.217575D+01  0.218511D+01  0.580141D+01
      2   0.378490D+01  0.177187D+01 -0.351563D+01 -0.122025D+01 -0.230757D+01
      3   0.162205D+01  0.104355D+02  0.133988D+01 -0.964855D+00 -0.349385D+01
      4  -0.120294D+01 -0.244375D+01  0.271618D+01  0.134993D+01  0.152046D+01
      5  -0.159473D+01 -0.437450D+01  0.574133D+01  0.174221D+01  0.466783D+01
      6   0.489281D+01  0.712774D+01  0.186291D+01 -0.118976D+00  0.546035D+00
               211           212           213           214           215 
      1   0.216345D+01 -0.390982D+01 -0.392690D+01  0.218053D+01 -0.431653D+01
      2  -0.390906D+01  0.413317D+00 -0.170793D+01 -0.389405D+01 -0.501123D+00
      3   0.174561D+01  0.349650D+01  0.563483D+01  0.171352D+01  0.481765D+01
      4  -0.214363D+01  0.158181D+01  0.239365D+01  0.336465D+01  0.346803D+01
      5   0.477016D+01  0.322741D+01  0.660851D+01  0.795893D+01  0.543824D+01
      6  -0.149022D+01  0.289316D+01  0.424685D+01  0.235654D+01  0.610971D+01
               216           217           218           219           220 
      1  -0.193097D+02  0.257810D+01  0.941772D+01  0.129358D+00  0.195364D+02
      2  -0.849313D+01  0.219118D+00 -0.614353D+01 -0.273065D+00 -0.565778D+01
      3   0.278028D+02 -0.279722D+01 -0.327419D+01  0.143706D+00 -0.138786D+02
      4   0.423934D+01  0.448798D+01  0.264063D+00 -0.138454D+01  0.207826D+02
      5   0.218647D+02 -0.224707D+01 -0.611846D+00  0.353001D+00  0.868301D+01
      6   0.612224D+01  0.232271D+01 -0.129959D+01 -0.154201D+01  0.466668D+01
               221           222           223           224           225 
      1  -0.100748D+02 -0.369304D+01  0.535263D+01 -0.436285D+01  0.665934D+00
      2   0.222742D+02  0.505174D+01 -0.310535D+01  0.344323D+01 -0.143221D+01
      3  -0.121994D+02 -0.135871D+01 -0.224728D+01  0.919624D+00  0.766277D+00
      4   0.603864D+02  0.223461D+02  0.400687D+01  0.176457D+02  0.121658D+02
      5   0.207888D+02  0.148391D+02  0.128976D+02  0.122961D+02  0.186429D+02
      6   0.178452D+02  0.118730D+02  0.205814D+01  0.103482D+02  0.692879D+01
               226           227           228           229           230 
      1   0.164280D+02 -0.715839D+01  0.713973D+01 -0.191757D+02  0.167511D+01
      2  -0.116110D+02  0.441070D+01 -0.575571D+01  0.124321D+02 -0.187619D+01
      3  -0.481704D+01  0.274769D+01 -0.138402D+01  0.674366D+01  0.201086D+00
      4  -0.794562D+01  0.417684D+01 -0.565657D+01  0.130490D+02 -0.154066D+02
      5   0.921861D+01 -0.648292D+01  0.123623D+02 -0.163267D+02  0.197795D+02
      6  -0.301434D+01  0.596859D+00 -0.879873D+00  0.445881D+01 -0.625521D+01
               231           232           233           234           235 
      1  -0.538103D+01  0.209699D+02 -0.347846D+00  0.946884D+01  0.999481D+02
      2   0.977904D+01 -0.168278D+02  0.560728D+01 -0.221180D+02 -0.475764D+02
      3  -0.439801D+01 -0.414211D+01 -0.525943D+01  0.126492D+02 -0.523717D+02
      4   0.209115D+02 -0.571484D+01  0.196747D+02 -0.172754D+02  0.674370D+01
      5  -0.259320D+02  0.329168D+02 -0.161436D+02  0.562290D+02 -0.204206D+02
      6   0.916855D+01 -0.278213D+01  0.736672D+01 -0.699496D+01 -0.301426D+01
               236           237           238           239           240 
      1   0.217338D+01 -0.244395D+02 -0.470774D+01  0.961495D+01 -0.726877D+00
      2   0.634640D-01  0.105311D+02  0.349211D+01 -0.301713D+01  0.986203D+00
      3  -0.223685D+01  0.139083D+02  0.121562D+01 -0.659782D+01 -0.259326D+00
      4   0.129874D+02 -0.287393D+01  0.146427D+02  0.358128D+01 -0.224381D+01
      5  -0.196035D+01  0.172060D+02 -0.105054D+01 -0.176047D+01 -0.240749D+01
      6   0.801944D-01  0.181554D+01 -0.268960D+00  0.547592D+00  0.233572D+01
               241           242           243 
      1  -0.502338D+02 -0.309019D+01  0.202234D+02
      2   0.237338D+02  0.145603D+01 -0.112119D+02
      3   0.265000D+02  0.163415D+01 -0.901150D+01
      4  -0.557502D+01 -0.697264D+01  0.270597D+00
      5   0.231829D+02 -0.340600D+00 -0.173422D+02
      6   0.247541D+01  0.185587D+01 -0.258372D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 23:21:44 2021, MaxMem=  5368709120 cpu:           57326.5 elap:            7177.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.45740 -10.52743 -10.45899 -10.45260 -10.44538
 Alpha  occ. eigenvalues --  -10.44145 -10.43821 -10.43785 -10.43204 -10.42955
 Alpha  occ. eigenvalues --  -10.42400  -1.17692  -1.01626  -0.93699  -0.89110
 Alpha  occ. eigenvalues --   -0.87944  -0.82756  -0.81056  -0.74722  -0.72238
 Alpha  occ. eigenvalues --   -0.66067  -0.64155  -0.60090  -0.59631  -0.57762
 Alpha  occ. eigenvalues --   -0.56496  -0.55965  -0.55230  -0.53106  -0.52105
 Alpha  occ. eigenvalues --   -0.50432  -0.50175  -0.49408  -0.47737  -0.47184
 Alpha  occ. eigenvalues --   -0.46365  -0.45172  -0.41954  -0.40952  -0.39877
 Alpha  occ. eigenvalues --   -0.35939  -0.35708
 Alpha virt. eigenvalues --   -0.01456  -0.00741  -0.00393  -0.00089   0.00863
 Alpha virt. eigenvalues --    0.01100   0.01394   0.01684   0.01887   0.02457
 Alpha virt. eigenvalues --    0.03069   0.03160   0.03411   0.04729   0.05037
 Alpha virt. eigenvalues --    0.05312   0.05783   0.06284   0.07004   0.07699
 Alpha virt. eigenvalues --    0.09087   0.09412   0.09794   0.10197   0.10942
 Alpha virt. eigenvalues --    0.11095   0.11337   0.11756   0.12072   0.12574
 Alpha virt. eigenvalues --    0.12715   0.12831   0.13413   0.13565   0.13715
 Alpha virt. eigenvalues --    0.13994   0.14352   0.14751   0.15394   0.15782
 Alpha virt. eigenvalues --    0.16227   0.16337   0.16973   0.17093   0.17387
 Alpha virt. eigenvalues --    0.18545   0.19024   0.19636   0.20250   0.20711
 Alpha virt. eigenvalues --    0.21158   0.21799   0.22446   0.22882   0.23850
 Alpha virt. eigenvalues --    0.24085   0.24382   0.26223   0.26496   0.26912
 Alpha virt. eigenvalues --    0.27299   0.27832   0.27992   0.28507   0.28808
 Alpha virt. eigenvalues --    0.29291   0.30185   0.30718   0.31351   0.31626
 Alpha virt. eigenvalues --    0.32384   0.32675   0.33549   0.33649   0.34072
 Alpha virt. eigenvalues --    0.34642   0.35015   0.35620   0.36216   0.36597
 Alpha virt. eigenvalues --    0.37202   0.38166   0.38700   0.39333   0.39689
 Alpha virt. eigenvalues --    0.40132   0.40922   0.41359   0.41518   0.41832
 Alpha virt. eigenvalues --    0.42022   0.42721   0.42878   0.43383   0.43719
 Alpha virt. eigenvalues --    0.44537   0.44618   0.45181   0.45381   0.46692
 Alpha virt. eigenvalues --    0.46965   0.47559   0.48439   0.49147   0.49712
 Alpha virt. eigenvalues --    0.50219   0.50958   0.51427   0.51783   0.52783
 Alpha virt. eigenvalues --    0.53078   0.53642   0.54058   0.54320   0.54936
 Alpha virt. eigenvalues --    0.55345   0.55992   0.56763   0.56890   0.57779
 Alpha virt. eigenvalues --    0.58193   0.58489   0.58904   0.59279   0.59382
 Alpha virt. eigenvalues --    0.59979   0.60463   0.60673   0.61941   0.62486
 Alpha virt. eigenvalues --    0.62675   0.63108   0.63224   0.63799   0.64069
 Alpha virt. eigenvalues --    0.64895   0.65659   0.66162   0.66541   0.66948
 Alpha virt. eigenvalues --    0.67433   0.68166   0.68718   0.69474   0.70064
 Alpha virt. eigenvalues --    0.70710   0.71241   0.71674   0.71811   0.72743
 Alpha virt. eigenvalues --    0.73024   0.73714   0.73909   0.74897   0.75325
 Alpha virt. eigenvalues --    0.75506   0.75845   0.76972   0.77349   0.78000
 Alpha virt. eigenvalues --    0.78558   0.78800   0.79842   0.80591   0.81402
 Alpha virt. eigenvalues --    0.81472   0.81956   0.82859   0.83698   0.84402
 Alpha virt. eigenvalues --    0.84965   0.85789   0.86103   0.86899   0.88177
 Alpha virt. eigenvalues --    0.88742   0.89721   0.90251   0.91449   0.93275
 Alpha virt. eigenvalues --    0.93599   0.94280   0.95968   0.97217   0.98271
 Alpha virt. eigenvalues --    0.98767   1.00163   1.01217   1.02381   1.03015
 Alpha virt. eigenvalues --    1.04032   1.04558   1.05310   1.06909   1.08048
 Alpha virt. eigenvalues --    1.08564   1.10449   1.11781   1.12981   1.13647
 Alpha virt. eigenvalues --    1.14141   1.15229   1.16653   1.17500   1.20207
 Alpha virt. eigenvalues --    1.21801   1.23041   1.24425   1.25050   1.25573
 Alpha virt. eigenvalues --    1.27868   1.28655   1.30178   1.31969   1.33290
 Alpha virt. eigenvalues --    1.33452   1.34386   1.35807   1.37672   1.39780
 Alpha virt. eigenvalues --    1.41053   1.41748   1.44209   1.46151   1.47785
 Alpha virt. eigenvalues --    1.48544   1.49249   1.52691   1.54207   1.54623
 Alpha virt. eigenvalues --    1.55446   1.56444   1.57516   1.58758   1.60288
 Alpha virt. eigenvalues --    1.62134   1.62778   1.63986   1.64830   1.66293
 Alpha virt. eigenvalues --    1.66718   1.68136   1.68537   1.69084   1.70984
 Alpha virt. eigenvalues --    1.71903   1.72651   1.73805   1.74618   1.76079
 Alpha virt. eigenvalues --    1.76310   1.78108   1.79151   1.79586   1.81259
 Alpha virt. eigenvalues --    1.82510   1.83289   1.84727   1.86075   1.86485
 Alpha virt. eigenvalues --    1.87536   1.88184   1.88719   1.90721   1.91134
 Alpha virt. eigenvalues --    1.93340   1.94116   1.95464   1.96450   1.97133
 Alpha virt. eigenvalues --    1.98755   2.00877   2.02418   2.03289   2.05250
 Alpha virt. eigenvalues --    2.06463   2.06923   2.07884   2.09194   2.10017
 Alpha virt. eigenvalues --    2.10714   2.11468   2.13024   2.13636   2.14328
 Alpha virt. eigenvalues --    2.15100   2.16442   2.17040   2.17779   2.18707
 Alpha virt. eigenvalues --    2.19915   2.20213   2.21642   2.23807   2.24945
 Alpha virt. eigenvalues --    2.25133   2.27225   2.28216   2.29339   2.32236
 Alpha virt. eigenvalues --    2.32679   2.32832   2.33342   2.34182   2.35760
 Alpha virt. eigenvalues --    2.38639   2.39579   2.40569   2.43446   2.43940
 Alpha virt. eigenvalues --    2.45095   2.47477   2.49168   2.49862   2.51692
 Alpha virt. eigenvalues --    2.52745   2.54101   2.56316   2.57468   2.59042
 Alpha virt. eigenvalues --    2.61194   2.62201   2.63778   2.64597   2.65284
 Alpha virt. eigenvalues --    2.66803   2.68013   2.69615   2.71351   2.71791
 Alpha virt. eigenvalues --    2.74024   2.76480   2.79129   2.81955   2.83248
 Alpha virt. eigenvalues --    2.84307   2.88111   2.90578   2.96010   2.96600
 Alpha virt. eigenvalues --    3.07793   3.09795   3.15740   3.18003   3.25641
 Alpha virt. eigenvalues --    3.33686   3.50018   3.53120   3.54431   3.61753
 Alpha virt. eigenvalues --    3.62851   3.76486   3.81000   3.92697   5.03117
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.671498  -0.894275   0.309245  -0.168058  -0.039698   0.012943
     2  C   -0.894275  11.302201  -4.825181   1.912586  -0.726971   0.001721
     3  C    0.309245  -4.825181  26.353445 -12.388895   2.291094  -0.705453
     4  C   -0.168058   1.912586 -12.388895  27.573407 -10.735299  -0.052427
     5  C   -0.039698  -0.726971   2.291094 -10.735299  18.516110  -3.074458
     6  C    0.012943   0.001721  -0.705453  -0.052427  -3.074458   9.245653
     7  O    0.002175  -0.004968   0.020328  -0.099063   0.004674   0.781799
     8  C   -0.530555  -1.085181   0.319102  -0.632901   0.058014   0.016781
     9  C   -0.240876  -1.115046   0.910025  -0.063040  -0.024550   0.020903
    10  C   -0.325835   1.996988  -3.742759   0.749610  -0.529378  -0.058324
    11  C    0.001148  -0.016136  -0.013416  -0.636985   0.438859  -0.115223
    12  H    0.137628  -0.116113  -0.269675   0.090137  -0.006445   0.000148
    13  H   -0.269819   0.282711   0.071452   0.315077  -0.019043   0.004764
    14  H   -0.143863   0.358214  -3.762111   0.801104   0.259788  -0.026603
    15  H    0.026481  -0.169736  -0.621839   0.030515   0.257350  -0.027796
    16  H    0.020441   0.099035   0.306067   0.464966  -0.151711   0.022871
    17  H    0.058541   0.471869  -0.236795  -0.276726   0.097855  -0.026408
    18  H   -0.158144  -0.185771   0.193152   0.024568   0.002480   0.008334
    19  H    0.356127  -0.020049  -0.217244   0.120881  -0.002752  -0.008156
    20  H   -0.086785   0.743995  -0.305663   0.093729  -0.047416  -0.003310
    21  H    0.029244  -0.161400   0.019681   0.088046  -0.016177   0.007715
    22  H    0.069409   0.007187  -0.001315   0.006145   0.000870   0.002390
    23  H    0.069023  -0.207426   0.855960  -3.073952   0.501938   0.076850
    24  H    0.005122   0.023572  -0.140760   1.181910  -2.598091   0.508585
    25  H   -0.000354  -0.001896  -0.010285   0.031305  -0.076625   0.009541
    26  H   -0.000617  -0.001956  -0.018576   0.019164  -0.060668   0.008143
    27  H    0.000732  -0.000500   0.018282  -0.057512   0.283464  -0.017014
               7          8          9         10         11         12
     1  C    0.002175  -0.530555  -0.240876  -0.325835   0.001148   0.137628
     2  C   -0.004968  -1.085181  -1.115046   1.996988  -0.016136  -0.116113
     3  C    0.020328   0.319102   0.910025  -3.742759  -0.013416  -0.269675
     4  C   -0.099063  -0.632901  -0.063040   0.749610  -0.636985   0.090137
     5  C    0.004674   0.058014  -0.024550  -0.529378   0.438859  -0.006445
     6  C    0.781799   0.016781   0.020903  -0.058324  -0.115223   0.000148
     7  O    7.757610  -0.001721  -0.002344  -0.005925  -0.058219   0.000041
     8  C   -0.001721   6.896471  -0.534892   0.236099   0.006722   0.056106
     9  C   -0.002344  -0.534892   7.493781  -0.911090  -0.000273  -0.472008
    10  C   -0.005925   0.236099  -0.911090   8.361015  -0.018051   0.202912
    11  C   -0.058219   0.006722  -0.000273  -0.018051   5.331273   0.000024
    12  H    0.000041   0.056106  -0.472008   0.202912   0.000024   2.827821
    13  H   -0.000026  -0.028134  -0.481384  -0.213514   0.000255  -1.002981
    14  H    0.003126  -0.024131   0.084281   0.571529   0.024608   0.044750
    15  H    0.002790  -0.077731   0.274419  -0.127169  -0.000136   0.249538
    16  H   -0.000721   0.034762  -0.168340  -0.766489  -0.001426  -0.300733
    17  H   -0.003575  -0.077166  -0.124211   0.210584  -0.003212   0.037985
    18  H    0.000381   0.246548   0.012916  -0.063559   0.001102   0.026857
    19  H    0.001663  -0.092585   0.008763  -0.004549  -0.001967   0.000796
    20  H    0.000201  -0.110960  -0.100108  -0.000241  -0.000280  -0.048102
    21  H   -0.000407   0.221475  -0.016817   0.003470   0.000810   0.030696
    22  H   -0.000174   0.056079   0.063099  -0.011122   0.000139  -0.060387
    23  H   -0.066953   0.077405  -0.045297  -0.295276   0.029516   0.023689
    24  H   -0.083169   0.007626   0.013982   0.017551  -0.308966   0.004779
    25  H    0.021304  -0.000127   0.000264  -0.001158   0.358352  -0.000120
    26  H    0.022303  -0.000040   0.000834  -0.003901   0.371033  -0.000072
    27  H   -0.022140   0.000294  -0.000208   0.000021   0.059457   0.000056
              13         14         15         16         17         18
     1  C   -0.269819  -0.143863   0.026481   0.020441   0.058541  -0.158144
     2  C    0.282711   0.358214  -0.169736   0.099035   0.471869  -0.185771
     3  C    0.071452  -3.762111  -0.621839   0.306067  -0.236795   0.193152
     4  C    0.315077   0.801104   0.030515   0.464966  -0.276726   0.024568
     5  C   -0.019043   0.259788   0.257350  -0.151711   0.097855   0.002480
     6  C    0.004764  -0.026603  -0.027796   0.022871  -0.026408   0.008334
     7  O   -0.000026   0.003126   0.002790  -0.000721  -0.003575   0.000381
     8  C   -0.028134  -0.024131  -0.077731   0.034762  -0.077166   0.246548
     9  C   -0.481384   0.084281   0.274419  -0.168340  -0.124211   0.012916
    10  C   -0.213514   0.571529  -0.127169  -0.766489   0.210584  -0.063559
    11  C    0.000255   0.024608  -0.000136  -0.001426  -0.003212   0.001102
    12  H   -1.002981   0.044750   0.249538  -0.300733   0.037985   0.026857
    13  H    3.189908  -0.048754  -0.335420   0.256555  -0.156713  -0.019937
    14  H   -0.048754   3.823857   0.223719  -0.264287   0.023744  -0.006414
    15  H   -0.335420   0.223719   2.620768  -0.871331   0.018463   0.007224
    16  H    0.256555  -0.264287  -0.871331   2.777809  -0.005962  -0.005587
    17  H   -0.156713   0.023744   0.018463  -0.005962   2.253956  -0.593010
    18  H   -0.019937  -0.006414   0.007224  -0.005587  -0.593010   2.058608
    19  H    0.019495   0.009971  -0.001671   0.001431  -0.449144  -0.405096
    20  H    0.022368  -0.047965  -0.003978  -0.026113  -0.043254   0.029552
    21  H   -0.016118  -0.029523   0.002150   0.001292   0.014973   0.049393
    22  H    0.031043   0.013706  -0.007217   0.017547   0.022434  -0.087622
    23  H   -0.083568   0.053634  -0.001544   0.029601   0.047316   0.002650
    24  H   -0.009553  -0.123146   0.015635  -0.003766   0.017646  -0.000230
    25  H    0.000504   0.004148  -0.000682   0.000022  -0.001928   0.000400
    26  H    0.000517   0.003914  -0.000546  -0.000295  -0.001095  -0.000037
    27  H   -0.000506  -0.001090   0.000597   0.000080   0.001459   0.000035
              19         20         21         22         23         24
     1  C    0.356127  -0.086785   0.029244   0.069409   0.069023   0.005122
     2  C   -0.020049   0.743995  -0.161400   0.007187  -0.207426   0.023572
     3  C   -0.217244  -0.305663   0.019681  -0.001315   0.855960  -0.140760
     4  C    0.120881   0.093729   0.088046   0.006145  -3.073952   1.181910
     5  C   -0.002752  -0.047416  -0.016177   0.000870   0.501938  -2.598091
     6  C   -0.008156  -0.003310   0.007715   0.002390   0.076850   0.508585
     7  O    0.001663   0.000201  -0.000407  -0.000174  -0.066953  -0.083169
     8  C   -0.092585  -0.110960   0.221475   0.056079   0.077405   0.007626
     9  C    0.008763  -0.100108  -0.016817   0.063099  -0.045297   0.013982
    10  C   -0.004549  -0.000241   0.003470  -0.011122  -0.295276   0.017551
    11  C   -0.001967  -0.000280   0.000810   0.000139   0.029516  -0.308966
    12  H    0.000796  -0.048102   0.030696  -0.060387   0.023689   0.004779
    13  H    0.019495   0.022368  -0.016118   0.031043  -0.083568  -0.009553
    14  H    0.009971  -0.047965  -0.029523   0.013706   0.053634  -0.123146
    15  H   -0.001671  -0.003978   0.002150  -0.007217  -0.001544   0.015635
    16  H    0.001431  -0.026113   0.001292   0.017547   0.029601  -0.003766
    17  H   -0.449144  -0.043254   0.014973   0.022434   0.047316   0.017646
    18  H   -0.405096   0.029552   0.049393  -0.087622   0.002650  -0.000230
    19  H    1.839693   0.016311  -0.077508   0.026086  -0.009006  -0.011705
    20  H    0.016311   2.162945  -0.476250  -0.499957  -0.005161  -0.004260
    21  H   -0.077508  -0.476250   1.926838  -0.458106   0.011658   0.010582
    22  H    0.026086  -0.499957  -0.458106   1.976762   0.002645   0.001208
    23  H   -0.009006  -0.005161   0.011658   0.002645   3.773010   0.230510
    24  H   -0.011705  -0.004260   0.010582   0.001208   0.230510   3.296648
    25  H   -0.000347   0.000120  -0.000452  -0.000067  -0.005931  -0.079426
    26  H    0.000417   0.000052  -0.000064  -0.000003  -0.007728  -0.080316
    27  H   -0.000099  -0.000086   0.000164   0.000020   0.007617   0.026660
              25         26         27
     1  C   -0.000354  -0.000617   0.000732
     2  C   -0.001896  -0.001956  -0.000500
     3  C   -0.010285  -0.018576   0.018282
     4  C    0.031305   0.019164  -0.057512
     5  C   -0.076625  -0.060668   0.283464
     6  C    0.009541   0.008143  -0.017014
     7  O    0.021304   0.022303  -0.022140
     8  C   -0.000127  -0.000040   0.000294
     9  C    0.000264   0.000834  -0.000208
    10  C   -0.001158  -0.003901   0.000021
    11  C    0.358352   0.371033   0.059457
    12  H   -0.000120  -0.000072   0.000056
    13  H    0.000504   0.000517  -0.000506
    14  H    0.004148   0.003914  -0.001090
    15  H   -0.000682  -0.000546   0.000597
    16  H    0.000022  -0.000295   0.000080
    17  H   -0.001928  -0.001095   0.001459
    18  H    0.000400  -0.000037   0.000035
    19  H   -0.000347   0.000417  -0.000099
    20  H    0.000120   0.000052  -0.000086
    21  H   -0.000452  -0.000064   0.000164
    22  H   -0.000067  -0.000003   0.000020
    23  H   -0.005931  -0.007728   0.007617
    24  H   -0.079426  -0.080316   0.026660
    25  H    1.061022  -0.114521  -0.202117
    26  H   -0.114521   1.056032  -0.205888
    27  H   -0.202117  -0.205888   1.237117
 Mulliken charges:
               1
     1  C    1.089122
     2  C   -1.667473
     3  C    1.592135
     4  C    0.681708
     5  C    1.396785
     6  C   -0.613970
     7  O   -0.268989
     8  C    0.962640
     9  C    1.417218
    10  C    0.728561
    11  C    0.550993
    12  H   -0.457327
    13  H   -0.509178
    14  H   -0.826204
    15  H   -0.482854
    16  H   -0.465716
    17  H   -0.277625
    18  H   -0.138795
    19  H   -0.099755
    20  H   -0.259383
    21  H   -0.165364
    22  H   -0.170800
    23  H   -0.991178
    24  H   -0.918627
    25  H    0.009053
    26  H    0.013915
    27  H   -0.128893
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.572948
     2  C   -1.667473
     3  C    0.765932
     4  C   -0.309471
     5  C    0.478158
     6  C   -0.613970
     7  O   -0.268989
     8  C    0.367093
     9  C    0.450714
    10  C   -0.220010
    11  C    0.445068
 Electronic spatial extent (au):  <R**2>=           2494.3826
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.6747    Y=             -0.7541    Z=             -2.6517  Tot=              3.2256
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -68.5454   YY=            -69.2048   ZZ=            -71.1012
   XY=              3.2707   XZ=              8.6772   YZ=             -0.3410
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.0718   YY=              0.4123   ZZ=             -1.4841
   XY=              3.2707   XZ=              8.6772   YZ=             -0.3410
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -12.6409  YYY=              0.0945  ZZZ=             -3.2284  XYY=             -3.4752
  XXY=             -9.9890  XXZ=            -26.9717  XZZ=              6.4255  YZZ=             -0.7210
  YYZ=              0.5573  XYZ=              0.8588
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2497.1280 YYYY=           -464.0771 ZZZZ=           -374.8680 XXXY=             29.4627
 XXXZ=             76.9941 YYYX=              1.6009 YYYZ=              6.1591 ZZZX=              9.3138
 ZZZY=              0.4015 XXYY=           -506.0705 XXZZ=           -523.1736 YYZZ=           -139.8523
 XXYZ=            -18.1796 YYXZ=             -1.6286 ZZXY=              5.5197
 N-N= 6.093387863805D+02 E-N=-2.299688475005D+03  KE= 4.625350374040D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 23:21:45 2021, MaxMem=  5368709120 cpu:               4.9 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 7.01089548D-01-2.70004810D-01-9.90123062D-01
 Polarizability= 1.61281272D+02 5.03064875D+00 1.04214168D+02
                 3.11105867D+00 3.14748124D+00 1.08318591D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.6524   -1.6477        2.6179    2.6138
 2      1.6524    1.6477       -1.4789   -1.4801      -30.5772  -30.5785
 3     -2.6179   -2.6138       28.7212   28.7173        1.4825    1.4801
 4      1.4789    1.4801        0.0000    0.0000       -2.6073   -2.6138
 5      1.8560    1.8612        2.6073    2.6138       -1.6477   -1.6477
 6     -1.4825   -1.4801        1.6477    1.6477       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        4.9432    4.9432        7.8415    7.8415
 2      4.4403    4.4403        0.0000    0.0000        7.8415    7.8415
 3      4.4403    4.4403        4.9432    4.9432       -0.0000    0.0000
 4      4.9432    4.9432       -4.4403   -4.4403      -91.7354  -91.7354
 5     -7.8415   -7.8415       86.1519   86.1519        4.4403    4.4403
 6      5.5835    5.5835        7.8415    7.8415       -4.9432   -4.9432
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.5011    0.0000        6.7410    6.5910      -10.3109  -10.4553
 2     -6.6819   -6.5910        6.1673    5.9204      121.6162  122.3139
 3     10.2508   10.4553     -115.0463 -114.8692       -5.6022   -5.9204
 4     -6.0039   -5.9204        0.2553    0.0000       10.4455   10.4553
 5     -7.3693   -7.4447      -10.8077  -10.4553        6.0889    6.5910
 6      5.7234    5.9204       -6.1524   -6.5910        0.1869    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.4939    0.0000       29.2429   29.0265      -22.3965  -22.0569
 2    -28.0959  -29.0265      -35.5802  -35.5403        4.8443    3.6998
 3     23.1536   22.0569       42.4813   42.4306       35.8153   35.5403
 4     35.8149   35.5403       -0.1885    0.0000       22.6265   22.0569
 5    -45.5583  -46.1304      -23.0101  -22.0569       29.5155   29.0265
 6    -35.4504  -35.5403      -29.1920  -29.0265       -0.0951    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     57.8099   57.0119       27.3413   27.1244      -12.6899  -12.2892
 2     89.2506   88.4763       48.3495   48.9306      -12.7683  -12.2892
 3     89.5754   88.4763       26.6886   27.1244      -10.2656  -10.0642
 4    -21.0924  -21.8062      -31.3345  -31.4645       24.3837   23.8841
 5      3.4047    2.2250       37.5259   37.1539       31.1035   31.4645
 6    -60.1695  -61.0380       -4.3339   -2.2250       22.1671   21.8062
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.0699    0.0006    0.0006    0.0008    6.4673   13.2568
 Low frequencies ---   36.6930   64.8476   73.6485
 Diagonal vibrational polarizability:
       20.6008396      63.2096190       8.5645609
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     36.6879                64.8091                73.6407
 Red. masses --      3.3641                 3.4367                 3.4989
 Frc consts  --      0.0027                 0.0085                 0.0112
 IR Inten    --      3.0385                 1.0106                 1.0091
 RamAct Fr= 1--      1.7098                 0.7145                 0.5104
  Dep-P Fr= 1--      0.7289                 0.7434                 0.5435
  Dep-U Fr= 1--      0.8432                 0.8528                 0.7042
 Alpha2 Fr= 1--      0.0006                 0.0001                 0.0020
 Beta2  Fr= 1--      0.2403                 0.1016                 0.0599
 AlphaG Fr= 1--     -0.0041                 0.0014                 0.0145
 Gamma2 Fr= 1--     -0.1313                 0.0533                 0.5081
 Delta2 Fr= 1--      0.0478                 0.0262                 0.1264
 Raman1 Fr= 1--       6.839                  2.858                  2.042
 ROA1   Fr= 1--     -11.075                  5.954                 52.819
 CID1   Fr= 1--      -1.619                  2.083                 25.871
 Raman2 Fr= 1--       2.883                  1.219                  0.719
 ROA2   Fr= 1--      -3.534                  1.070                 11.182
 CID2   Fr= 1--      -1.226                  0.878                 15.555
 Raman3 Fr= 1--       5.767                  2.437                  1.438
 ROA3   Fr= 1--     -11.075                  5.954                 52.819
 CID3   Fr= 1--      -1.920                  2.443                 36.738
 RC180  Fr= 1--       0.686                  0.706                  0.408
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12   0.04   0.09     0.10  -0.13  -0.09    -0.20  -0.00  -0.06
     2   6     0.04   0.01   0.02     0.04  -0.02  -0.00    -0.07   0.01   0.01
     3   6    -0.01  -0.09  -0.00    -0.00  -0.11  -0.03     0.03   0.03  -0.11
     4   6    -0.01  -0.11   0.01     0.00  -0.12  -0.02     0.02   0.07  -0.13
     5   6    -0.02  -0.03  -0.00    -0.03  -0.05  -0.01     0.01  -0.01  -0.07
     6   6    -0.02  -0.00  -0.00    -0.02   0.07   0.01     0.07  -0.04   0.03
     7   8     0.02  -0.18   0.06     0.00   0.20  -0.03     0.17  -0.12   0.06
     8   6     0.06   0.01   0.04     0.17   0.14   0.03     0.06   0.01   0.13
     9   6    -0.02   0.07  -0.05    -0.14   0.01   0.07    -0.14   0.01   0.07
    10   6    -0.08  -0.03  -0.08    -0.09  -0.05  -0.01     0.05   0.00  -0.08
    11   6    -0.08   0.28  -0.08    -0.04   0.01   0.07    -0.01   0.04   0.10
    12   1    -0.02   0.13  -0.08    -0.16   0.09   0.21    -0.14  -0.02   0.25
    13   1    -0.01   0.10  -0.05    -0.28  -0.04   0.03    -0.31   0.03  -0.00
    14   1    -0.02  -0.14   0.01     0.00  -0.12  -0.03     0.07  -0.00  -0.11
    15   1    -0.12  -0.04  -0.11    -0.15  -0.06  -0.09     0.06   0.06  -0.21
    16   1    -0.11  -0.04  -0.11    -0.03  -0.06   0.03     0.19  -0.09  -0.01
    17   1     0.11   0.03   0.08     0.00  -0.25  -0.12    -0.28  -0.01  -0.14
    18   1     0.15   0.11   0.10     0.12  -0.05  -0.05    -0.27  -0.02   0.03
    19   1     0.15  -0.02   0.14     0.24  -0.16  -0.17    -0.14   0.02  -0.14
    20   1     0.00  -0.01  -0.01     0.12   0.22   0.09     0.15   0.01   0.18
    21   1     0.09  -0.04   0.09     0.30   0.12  -0.04     0.13   0.02   0.07
    22   1     0.09   0.09   0.04     0.18   0.22   0.07    -0.01   0.01   0.24
    23   1     0.01  -0.17   0.03     0.02  -0.12  -0.01     0.02   0.13  -0.15
    24   1    -0.05   0.05  -0.03    -0.06  -0.05  -0.01    -0.03  -0.06  -0.05
    25   1    -0.20   0.33  -0.27    -0.09  -0.04   0.21    -0.04   0.08  -0.01
    26   1    -0.01   0.46   0.03    -0.02  -0.10  -0.01    -0.09   0.13   0.18
    27   1    -0.07   0.27  -0.07    -0.04   0.14   0.08     0.05  -0.02   0.19
                      4                      5                      6
                      A                      A                      A
 Frequencies --    115.7161               140.6741               151.7900
 Red. masses --      1.0817                 2.6931                 3.1542
 Frc consts  --      0.0085                 0.0314                 0.0428
 IR Inten    --      0.0006                 0.3762                 1.5852
 RamAct Fr= 1--      0.4089                 1.3262                 0.5630
  Dep-P Fr= 1--      0.6989                 0.7404                 0.5969
  Dep-U Fr= 1--      0.8228                 0.8508                 0.7476
 Alpha2 Fr= 1--      0.0004                 0.0002                 0.0016
 Beta2  Fr= 1--      0.0561                 0.1881                 0.0702
 AlphaG Fr= 1--     -0.0012                -0.0016                -0.0068
 Gamma2 Fr= 1--     -0.0530                 0.1779                -0.1763
 Delta2 Fr= 1--      0.0334                 0.2473                -0.0496
 Raman1 Fr= 1--       1.635                  5.305                  2.252
 ROA1   Fr= 1--      -4.018                 24.989                -18.517
 CID1   Fr= 1--      -2.457                  4.711                 -8.222
 Raman2 Fr= 1--       0.673                  2.257                  0.842
 ROA2   Fr= 1--      -1.538                  2.291                 -3.835
 CID2   Fr= 1--      -2.286                  1.015                 -4.556
 Raman3 Fr= 1--       1.346                  4.513                  1.684
 ROA3   Fr= 1--      -4.018                 24.989                -18.517
 CID3   Fr= 1--      -2.986                  5.537                -10.998
 RC180  Fr= 1--       0.646                  0.702                  0.495
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.01     0.03   0.02   0.06     0.03  -0.06  -0.02
     2   6    -0.00   0.01  -0.00     0.01  -0.01   0.01    -0.01  -0.02   0.01
     3   6     0.00   0.02  -0.00     0.00  -0.03  -0.00    -0.01  -0.04  -0.01
     4   6     0.00   0.01  -0.00    -0.01  -0.07  -0.06     0.03   0.08   0.10
     5   6     0.01  -0.04   0.01    -0.07   0.25  -0.17    -0.01   0.22   0.08
     6   6     0.00  -0.01   0.00    -0.00   0.07  -0.05    -0.03   0.05   0.04
     7   8     0.01  -0.04   0.01     0.09  -0.05  -0.00    -0.14  -0.08   0.07
     8   6    -0.01   0.00  -0.01     0.01  -0.05   0.03     0.04   0.03   0.02
     9   6     0.00   0.00   0.00     0.02  -0.00  -0.01    -0.06   0.00  -0.01
    10   6     0.01   0.01   0.00    -0.06  -0.00   0.06     0.09  -0.06  -0.17
    11   6    -0.00   0.04  -0.01    -0.04  -0.07   0.08     0.08  -0.06  -0.08
    12   1     0.00  -0.00   0.00     0.02   0.02  -0.08    -0.06  -0.02   0.16
    13   1     0.00  -0.00   0.00     0.09  -0.02   0.03    -0.23   0.08  -0.08
    14   1    -0.00   0.02  -0.00     0.06   0.01  -0.02    -0.12  -0.13   0.02
    15   1     0.01   0.01   0.01    -0.11  -0.06   0.13     0.18   0.07  -0.36
    16   1     0.01   0.01   0.01    -0.11   0.10   0.06     0.19  -0.30  -0.19
    17   1    -0.01   0.01  -0.01     0.05   0.04   0.07    -0.02  -0.12  -0.03
    18   1    -0.02  -0.01  -0.01     0.05   0.05   0.06     0.04  -0.03  -0.01
    19   1    -0.02   0.01  -0.02     0.03  -0.01   0.10     0.09  -0.08  -0.05
    20   1    -0.00   0.01  -0.00    -0.00  -0.07  -0.00     0.02   0.05   0.03
    21   1    -0.01   0.01  -0.01     0.01  -0.07   0.06     0.09   0.01   0.01
    22   1    -0.01  -0.01  -0.01     0.01  -0.02   0.04     0.05   0.08   0.04
    23   1    -0.01   0.05  -0.01     0.01  -0.38   0.04     0.12  -0.01   0.13
    24   1     0.02  -0.07   0.02    -0.14   0.53  -0.25    -0.01   0.33   0.05
    25   1    -0.23  -0.18   0.49    -0.04  -0.16   0.31     0.20  -0.09   0.03
    26   1     0.33  -0.34  -0.33    -0.08  -0.28  -0.06     0.15  -0.15  -0.15
    27   1    -0.09   0.54  -0.17    -0.01   0.04   0.12     0.00  -0.09  -0.19
                      7                      8                      9
                      A                      A                      A
 Frequencies --    218.2932               244.6938               261.5399
 Red. masses --      1.2307                 1.9476                 2.7532
 Frc consts  --      0.0346                 0.0687                 0.1110
 IR Inten    --      0.1584                 0.6104                 0.2316
 RamAct Fr= 1--      0.3551                 0.4281                 5.3746
  Dep-P Fr= 1--      0.2085                 0.4917                 0.2200
  Dep-U Fr= 1--      0.3451                 0.6593                 0.3606
 Alpha2 Fr= 1--      0.0047                 0.0022                 0.0692
 Beta2  Fr= 1--      0.0204                 0.0470                 0.3230
 AlphaG Fr= 1--     -0.0051                 0.0003                -0.0106
 Gamma2 Fr= 1--      0.3472                 0.2575                 0.0691
 Delta2 Fr= 1--     -0.0847                 0.1533                 0.0015
 Raman1 Fr= 1--       1.420                  1.712                 21.498
 ROA1   Fr= 1--      30.623                 29.620                  6.678
 CID1   Fr= 1--      21.558                 17.297                  0.311
 Raman2 Fr= 1--       0.245                  0.564                  3.876
 ROA2   Fr= 1--       9.011                  4.953                  1.646
 CID2   Fr= 1--      36.768                  8.774                  0.425
 Raman3 Fr= 1--       0.490                  1.129                  7.753
 ROA3   Fr= 1--      30.623                 29.620                  6.678
 CID3   Fr= 1--      62.479                 26.236                  0.861
 RC180  Fr= 1--      -0.310                  0.319                 -0.279
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.01   0.05    -0.08   0.04  -0.07    -0.06   0.02   0.01
     2   6    -0.02  -0.01   0.01     0.03   0.00  -0.06    -0.04   0.01  -0.00
     3   6    -0.01   0.02   0.00     0.02   0.01  -0.04    -0.03  -0.05  -0.00
     4   6    -0.02   0.05  -0.02     0.02  -0.04   0.00     0.06  -0.11   0.08
     5   6    -0.00  -0.00  -0.02    -0.02   0.01   0.05     0.07   0.01   0.03
     6   6    -0.00  -0.00  -0.01    -0.03   0.01   0.05     0.10   0.02   0.02
     7   8     0.02  -0.01  -0.01    -0.09   0.00   0.04     0.10   0.04   0.02
     8   6    -0.05   0.01  -0.04     0.13  -0.07   0.07    -0.11  -0.03  -0.04
     9   6    -0.01  -0.03   0.02     0.06   0.00  -0.07    -0.12   0.05  -0.00
    10   6     0.04  -0.01   0.01    -0.06   0.03   0.04    -0.15   0.01  -0.02
    11   6    -0.02   0.00   0.01     0.01  -0.00  -0.02     0.19   0.01  -0.07
    12   1    -0.01  -0.05   0.08     0.06   0.01  -0.22    -0.13   0.12   0.02
    13   1    -0.06  -0.03   0.01     0.21  -0.03  -0.01    -0.15   0.02  -0.01
    14   1     0.00   0.02   0.00     0.01   0.07  -0.06    -0.08  -0.06   0.00
    15   1     0.06   0.02  -0.02    -0.12  -0.06   0.17    -0.23  -0.04  -0.02
    16   1     0.06  -0.04   0.01    -0.13   0.19   0.05    -0.16   0.06  -0.00
    17   1    -0.28  -0.13  -0.22    -0.36   0.01  -0.33    -0.09   0.01  -0.03
    18   1     0.08   0.41   0.37    -0.18   0.23   0.23    -0.07   0.05   0.05
    19   1     0.53  -0.29   0.06     0.20  -0.09  -0.14    -0.02  -0.01   0.00
    20   1     0.04   0.05   0.06     0.33  -0.09   0.15     0.09   0.03   0.11
    21   1    -0.14   0.13  -0.15     0.17  -0.03  -0.02    -0.29   0.20  -0.22
    22   1    -0.11  -0.16  -0.08    -0.00  -0.16   0.23    -0.22  -0.34  -0.10
    23   1    -0.04   0.10  -0.04     0.08  -0.06   0.01     0.10  -0.23   0.12
    24   1     0.01  -0.05  -0.00    -0.06   0.04   0.04     0.07   0.13  -0.00
    25   1    -0.03  -0.00   0.01     0.05   0.00  -0.02     0.27   0.03  -0.08
    26   1    -0.03  -0.00   0.01     0.05   0.00  -0.02     0.28   0.03  -0.07
    27   1    -0.00   0.01   0.03    -0.02  -0.02  -0.06     0.11  -0.03  -0.18
                     10                     11                     12
                      A                      A                      A
 Frequencies --    272.7936               333.8646               358.9876
 Red. masses --      1.1290                 2.3561                 2.3208
 Frc consts  --      0.0495                 0.1547                 0.1762
 IR Inten    --      0.0620                 2.0228                 0.6498
 RamAct Fr= 1--      0.4959                 0.9028                 1.5499
  Dep-P Fr= 1--      0.2348                 0.2222                 0.6478
  Dep-U Fr= 1--      0.3803                 0.3637                 0.7863
 Alpha2 Fr= 1--      0.0061                 0.0116                 0.0028
 Beta2  Fr= 1--      0.0314                 0.0547                 0.2031
 AlphaG Fr= 1--     -0.0001                -0.0015                 0.0146
 Gamma2 Fr= 1--      0.0032                -0.9158                -0.5397
 Delta2 Fr= 1--     -0.0205                -0.1516                -0.3277
 Raman1 Fr= 1--       1.984                  3.611                  6.199
 ROA1   Fr= 1--      -0.347                -92.766                -62.302
 CID1   Fr= 1--      -0.175                -25.688                -10.050
 Raman2 Fr= 1--       0.377                  0.657                  2.437
 ROA2   Fr= 1--       0.241                -20.766                -10.332
 CID2   Fr= 1--       0.638                -31.625                 -4.239
 Raman3 Fr= 1--       0.754                  1.313                  4.874
 ROA3   Fr= 1--      -0.347                -92.766                -62.302
 CID3   Fr= 1--      -0.460                -70.636                -12.781
 RC180  Fr= 1--      -0.239                 -0.273                  0.573
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.01     0.13   0.04   0.03     0.09  -0.16  -0.05
     2   6    -0.02  -0.01  -0.02     0.02  -0.01  -0.08    -0.04  -0.00   0.05
     3   6    -0.01   0.01  -0.01     0.03   0.04  -0.11    -0.05   0.00   0.04
     4   6     0.01   0.01   0.01     0.02   0.06  -0.11    -0.06   0.16  -0.01
     5   6     0.01   0.00   0.01    -0.03   0.00   0.01    -0.00   0.02  -0.01
     6   6     0.03   0.01   0.01    -0.02   0.01   0.06     0.02   0.02  -0.02
     7   8     0.03   0.01   0.01    -0.07   0.00   0.06     0.07  -0.02   0.00
     8   6    -0.02  -0.02  -0.01     0.03  -0.13  -0.01    -0.01  -0.05   0.11
     9   6    -0.03  -0.02  -0.00    -0.12  -0.03   0.06     0.02   0.05  -0.07
    10   6    -0.03   0.01   0.02    -0.03   0.04   0.06    -0.10   0.02  -0.01
    11   6     0.05   0.00  -0.02     0.04   0.00  -0.02     0.03  -0.00  -0.02
    12   1    -0.03  -0.01  -0.00    -0.14   0.05   0.27     0.03   0.03  -0.27
    13   1    -0.02  -0.05   0.01    -0.30  -0.20   0.02     0.20   0.13  -0.02
    14   1    -0.03   0.03  -0.01     0.08   0.12  -0.14    -0.05  -0.06   0.05
    15   1    -0.06  -0.02   0.05    -0.10  -0.01   0.08    -0.16  -0.06   0.09
    16   1    -0.03   0.05   0.04     0.05   0.13   0.16    -0.20   0.14  -0.04
    17   1    -0.14  -0.04  -0.11     0.36   0.12   0.20     0.10  -0.37   0.08
    18   1    -0.02   0.14   0.12     0.26   0.03  -0.17     0.17  -0.19  -0.21
    19   1     0.15  -0.10  -0.01    -0.04   0.03   0.21     0.13  -0.10  -0.17
    20   1    -0.41  -0.15  -0.34     0.16  -0.22  -0.04     0.12  -0.09   0.14
    21   1     0.14  -0.38   0.36    -0.04  -0.11   0.01    -0.01  -0.03   0.09
    22   1     0.21   0.46  -0.03    -0.05  -0.22   0.06    -0.10  -0.11   0.21
    23   1     0.01   0.03   0.00     0.08   0.14  -0.13    -0.12   0.37  -0.08
    24   1     0.02  -0.01   0.01    -0.10  -0.08   0.04     0.06  -0.17   0.05
    25   1     0.08   0.01  -0.02     0.09   0.01  -0.02     0.08  -0.00  -0.00
    26   1     0.08   0.01  -0.02     0.09   0.01  -0.02     0.03  -0.02  -0.03
    27   1     0.03  -0.01  -0.05    -0.02  -0.03  -0.09     0.02  -0.03  -0.03
                     13                     14                     15
                      A                      A                      A
 Frequencies --    363.0272               415.0673               440.3594
 Red. masses --      2.2433                 2.9342                 2.2953
 Frc consts  --      0.1742                 0.2978                 0.2622
 IR Inten    --      0.3907                 2.8074                 0.5366
 RamAct Fr= 1--      0.7385                 1.6152                 0.3960
  Dep-P Fr= 1--      0.5217                 0.1183                 0.7352
  Dep-U Fr= 1--      0.6857                 0.2116                 0.8474
 Alpha2 Fr= 1--      0.0033                 0.0270                 0.0001
 Beta2  Fr= 1--      0.0844                 0.0570                 0.0559
 AlphaG Fr= 1--      0.0065                -0.0242                 0.0060
 Gamma2 Fr= 1--      0.2812                 0.5876                 0.4601
 Delta2 Fr= 1--      0.0610                 0.1203                 0.0833
 Raman1 Fr= 1--       2.954                  6.461                  1.584
 ROA1   Fr= 1--      28.949                 60.253                 46.839
 CID1   Fr= 1--       9.801                  9.326                 29.570
 Raman2 Fr= 1--       1.013                  0.684                  0.671
 ROA2   Fr= 1--       6.262                 13.139                 10.377
 CID2   Fr= 1--       6.183                 19.219                 15.462
 Raman3 Fr= 1--       2.025                  1.367                  1.342
 ROA3   Fr= 1--      28.949                 60.253                 46.839
 CID3   Fr= 1--      14.293                 44.067                 34.894
 RC180  Fr= 1--       0.371                 -0.577                  0.695
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.02   0.12     0.02   0.07   0.02    -0.05   0.02   0.00
     2   6    -0.05  -0.08  -0.00    -0.05  -0.05  -0.14     0.12  -0.03   0.03
     3   6    -0.02  -0.07  -0.04    -0.11   0.05   0.04     0.08  -0.12   0.03
     4   6    -0.03   0.07  -0.09    -0.04   0.08   0.20     0.06   0.12   0.02
     5   6    -0.04   0.01  -0.01     0.06   0.03   0.05     0.07   0.06   0.03
     6   6     0.00   0.04   0.04     0.03  -0.03  -0.09     0.01   0.06  -0.06
     7   8     0.02  -0.00   0.06     0.09  -0.01  -0.09    -0.04  -0.06  -0.03
     8   6     0.05   0.15  -0.03     0.12  -0.03  -0.01     0.03  -0.03  -0.10
     9   6     0.03  -0.11  -0.04    -0.08  -0.11  -0.06    -0.03   0.05   0.04
    10   6    -0.04  -0.08   0.03    -0.04  -0.01   0.00    -0.10  -0.04   0.01
    11   6     0.08  -0.00  -0.04    -0.05  -0.00   0.01    -0.05  -0.00   0.04
    12   1     0.04  -0.18  -0.20    -0.08  -0.11   0.04    -0.05   0.22   0.10
    13   1     0.18  -0.08   0.01    -0.15  -0.21  -0.07    -0.10  -0.02   0.02
    14   1     0.02  -0.08  -0.04    -0.31   0.14   0.04     0.06  -0.20   0.05
    15   1    -0.09  -0.17   0.15     0.06   0.05   0.02    -0.27  -0.16   0.02
    16   1    -0.09   0.07   0.05    -0.03  -0.09  -0.02    -0.12   0.10   0.05
    17   1     0.05   0.19   0.12     0.14   0.24   0.05    -0.12   0.13  -0.12
    18   1    -0.04   0.03   0.11     0.08   0.16  -0.01    -0.19  -0.10   0.14
    19   1    -0.17  -0.01   0.27    -0.08  -0.02   0.25    -0.09   0.09  -0.06
    20   1    -0.02   0.35   0.15     0.26  -0.01   0.08    -0.07  -0.02  -0.13
    21   1     0.22   0.20  -0.23     0.31  -0.06  -0.11    -0.10   0.01  -0.06
    22   1     0.08   0.20  -0.05     0.01   0.02   0.21     0.10  -0.09  -0.27
    23   1    -0.03   0.23  -0.14    -0.07   0.08   0.19     0.06   0.41  -0.07
    24   1    -0.08  -0.14   0.03     0.26   0.05   0.04     0.17  -0.20   0.11
    25   1     0.19   0.01  -0.03    -0.16  -0.02   0.02    -0.07  -0.03   0.10
    26   1     0.15  -0.01  -0.05    -0.15  -0.01   0.02    -0.24  -0.07   0.02
    27   1     0.00  -0.07  -0.14     0.04   0.06   0.14     0.06  -0.01   0.20
                     16                     17                     18
                      A                      A                      A
 Frequencies --    487.0436               588.0546               618.5416
 Red. masses --      2.7530                 2.5204                 3.7164
 Frc consts  --      0.3848                 0.5135                 0.8378
 IR Inten    --      8.7908                 2.6738                17.6514
 RamAct Fr= 1--      1.2824                 2.6232                 9.3695
  Dep-P Fr= 1--      0.4191                 0.0332                 0.1278
  Dep-U Fr= 1--      0.5907                 0.0643                 0.2267
 Alpha2 Fr= 1--      0.0089                 0.0539                 0.1531
 Beta2  Fr= 1--      0.1262                 0.0281                 0.3540
 AlphaG Fr= 1--     -0.0160                -0.1295                 0.0762
 Gamma2 Fr= 1--     -0.4198                -0.0264                 0.5149
 Delta2 Fr= 1--     -0.2281                -0.2530                -0.4434
 Raman1 Fr= 1--       5.130                 10.493                 37.478
 ROA1   Fr= 1--     -47.601                -10.632                 35.236
 CID1   Fr= 1--      -9.280                 -1.013                  0.940
 Raman2 Fr= 1--       1.515                  0.337                  4.248
 ROA2   Fr= 1--      -8.251                  1.391                 15.904
 CID2   Fr= 1--      -5.447                  4.122                  3.744
 Raman3 Fr= 1--       3.030                  0.675                  8.496
 ROA3   Fr= 1--     -47.601                -10.632                 35.236
 CID3   Fr= 1--     -15.711                -15.758                  4.148
 RC180  Fr= 1--       0.181                 -0.871                 -0.547
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.08   0.06     0.02   0.06  -0.05    -0.03  -0.07   0.06
     2   6    -0.12  -0.02   0.01    -0.06   0.05  -0.03     0.00  -0.03   0.02
     3   6     0.07   0.03  -0.13    -0.01  -0.01  -0.02     0.08   0.03  -0.09
     4   6     0.17  -0.00  -0.00     0.03  -0.10   0.02     0.08  -0.01   0.04
     5   6     0.13   0.03   0.06     0.03  -0.10   0.02    -0.02   0.00   0.16
     6   6     0.07  -0.06  -0.03    -0.02   0.27  -0.09    -0.15   0.05   0.01
     7   8    -0.12  -0.01  -0.06    -0.02  -0.09   0.02     0.20   0.03   0.05
     8   6    -0.08   0.06   0.06    -0.06   0.03   0.05     0.00  -0.00  -0.01
     9   6    -0.03  -0.04  -0.05     0.01  -0.04   0.01    -0.01   0.02  -0.02
    10   6    -0.02   0.05  -0.02     0.02  -0.01   0.01     0.04   0.09  -0.02
    11   6    -0.03   0.02   0.07     0.02   0.04   0.01    -0.23  -0.08  -0.18
    12   1    -0.01  -0.17  -0.18     0.02  -0.12  -0.04    -0.01  -0.01   0.04
    13   1     0.11   0.06  -0.01     0.06  -0.04   0.03    -0.06   0.07  -0.04
    14   1     0.06   0.02  -0.13    -0.01   0.01  -0.02     0.08   0.02  -0.09
    15   1    -0.15  -0.10   0.12     0.06   0.03  -0.01    -0.07  -0.04   0.11
    16   1    -0.04   0.30   0.06     0.05  -0.06   0.01     0.02   0.29   0.05
    17   1     0.06  -0.17   0.17     0.06  -0.00   0.01    -0.03  -0.08   0.07
    18   1     0.12   0.03  -0.06     0.10   0.12  -0.13    -0.03  -0.07   0.06
    19   1     0.03  -0.15   0.13     0.05   0.02  -0.02    -0.03  -0.08   0.07
    20   1    -0.12   0.14   0.12     0.00  -0.01   0.04    -0.07   0.05   0.01
    21   1     0.01   0.07  -0.01    -0.03   0.00   0.07    -0.01   0.03  -0.04
    22   1    -0.06   0.11   0.07    -0.10   0.04   0.14     0.05  -0.00  -0.10
    23   1     0.34  -0.14   0.05     0.01   0.05  -0.03     0.29  -0.01   0.05
    24   1     0.14   0.17   0.01     0.05  -0.25   0.07     0.03   0.04   0.14
    25   1    -0.27  -0.01   0.05     0.45  -0.01   0.30     0.04  -0.07  -0.10
    26   1    -0.14   0.05   0.11    -0.40  -0.29  -0.15    -0.20  -0.16  -0.23
    27   1     0.12   0.17   0.27     0.10  -0.27   0.15    -0.36  -0.27  -0.35
                     19                     20                     21
                      A                      A                      A
 Frequencies --    627.5373               730.1388               825.8333
 Red. masses --      3.2376                 1.4761                 2.4707
 Frc consts  --      0.7512                 0.4636                 0.9928
 IR Inten    --      0.2565                 6.0466                 3.2789
 RamAct Fr= 1--      5.5957                 7.4667                25.0750
  Dep-P Fr= 1--      0.1452                 0.1055                 0.4477
  Dep-U Fr= 1--      0.2536                 0.1909                 0.6185
 Alpha2 Fr= 1--      0.0876                 0.1290                 0.1551
 Beta2  Fr= 1--      0.2365                 0.2376                 2.5849
 AlphaG Fr= 1--      0.1481                 0.1686                 0.2112
 Gamma2 Fr= 1--     -0.4324                 0.5067                -3.2474
 Delta2 Fr= 1--      0.8797                 0.7793                 0.0238
 Raman1 Fr= 1--      22.383                 29.867                100.300
 ROA1   Fr= 1--     -13.364                 73.583               -310.988
 CID1   Fr= 1--      -0.597                  2.464                 -3.101
 Raman2 Fr= 1--       2.838                  2.851                 31.019
 ROA2   Fr= 1--     -17.416                  5.928                -78.127
 CID2   Fr= 1--      -6.137                  2.079                 -2.519
 Raman3 Fr= 1--       5.675                  5.702                 62.037
 ROA3   Fr= 1--     -13.364                 73.583               -310.988
 CID3   Fr= 1--      -2.355                 12.906                 -5.013
 RC180  Fr= 1--      -0.493                 -0.618                  0.237
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.18  -0.15     0.02   0.05  -0.04    -0.03  -0.01  -0.03
     2   6    -0.03   0.11  -0.02     0.01   0.01   0.01    -0.11  -0.02  -0.08
     3   6    -0.00  -0.13  -0.07     0.04  -0.06   0.07     0.13  -0.07   0.16
     4   6     0.04   0.04   0.00    -0.02  -0.01   0.01     0.07  -0.07  -0.01
     5   6    -0.00   0.08   0.06    -0.01   0.01  -0.03     0.07   0.08  -0.12
     6   6    -0.01  -0.09   0.02    -0.00  -0.01   0.01    -0.00   0.00   0.05
     7   8     0.06   0.03  -0.01    -0.01   0.00   0.01    -0.02   0.01   0.06
     8   6    -0.10   0.06   0.10    -0.04   0.02   0.05    -0.02  -0.01  -0.04
     9   6     0.04  -0.07   0.09     0.01  -0.08  -0.08    -0.03   0.03   0.00
    10   6    -0.02  -0.18   0.04     0.06   0.06  -0.05    -0.02   0.11   0.01
    11   6    -0.07  -0.04  -0.05     0.01  -0.00   0.01    -0.06  -0.04  -0.01
    12   1     0.05  -0.12  -0.14     0.01  -0.18   0.40    -0.02  -0.01  -0.16
    13   1     0.23  -0.09   0.17    -0.41  -0.03  -0.25     0.13  -0.04   0.07
    14   1     0.01  -0.21  -0.05     0.04  -0.19   0.10     0.14  -0.10   0.16
    15   1    -0.11  -0.20  -0.06    -0.03  -0.19   0.37     0.01   0.23  -0.23
    16   1     0.07  -0.16   0.12    -0.22   0.43  -0.11     0.08  -0.16  -0.03
    17   1     0.09   0.10  -0.09    -0.00   0.04  -0.06     0.08   0.02   0.06
    18   1     0.14   0.22  -0.22    -0.01   0.00  -0.02     0.12   0.20  -0.12
    19   1     0.11   0.18  -0.18     0.02   0.08  -0.09    -0.01  -0.17   0.19
    20   1    -0.01  -0.06   0.01    -0.03   0.02   0.05     0.07   0.00   0.03
    21   1    -0.19   0.03   0.19    -0.04   0.02   0.05     0.19  -0.08  -0.10
    22   1    -0.17   0.01   0.17    -0.05   0.03   0.07    -0.09   0.10   0.16
    23   1     0.18   0.12  -0.01    -0.10   0.03  -0.00    -0.13   0.21  -0.11
    24   1     0.05   0.03   0.08     0.00  -0.05  -0.01     0.14  -0.44   0.05
    25   1    -0.22  -0.03  -0.15    -0.01   0.01  -0.02    -0.12  -0.01  -0.12
    26   1     0.08   0.08   0.02     0.05   0.03   0.02     0.11   0.06   0.03
    27   1    -0.11   0.06  -0.11    -0.01   0.01  -0.02    -0.15   0.00  -0.14
                     22                     23                     24
                      A                      A                      A
 Frequencies --    860.4846               875.6582               894.8879
 Red. masses --      2.8209                 1.9591                 1.7260
 Frc consts  --      1.2306                 0.8851                 0.8144
 IR Inten    --      0.1594                 3.3053                 8.9442
 RamAct Fr= 1--      5.5024                16.2381                 4.4761
  Dep-P Fr= 1--      0.5060                 0.5967                 0.4173
  Dep-U Fr= 1--      0.6720                 0.7474                 0.5889
 Alpha2 Fr= 1--      0.0264                 0.0462                 0.0311
 Beta2  Fr= 1--      0.6163                 2.0229                 0.4393
 AlphaG Fr= 1--     -0.0587                 0.2539                 0.2150
 Gamma2 Fr= 1--      3.5038                 4.9066                 2.6570
 Delta2 Fr= 1--     -0.6236                -0.6985                 0.5185
 Raman1 Fr= 1--      22.010                 64.952                 17.904
 ROA1   Fr= 1--     316.410                448.683                271.662
 CID1   Fr= 1--      14.376                  6.908                 15.173
 Raman2 Fr= 1--       7.395                 24.274                  5.272
 ROA2   Fr= 1--      89.080                123.347                 59.619
 CID2   Fr= 1--      12.046                  5.081                 11.309
 Raman3 Fr= 1--      14.790                 48.548                 10.543
 ROA3   Fr= 1--     316.410                448.683                271.662
 CID3   Fr= 1--      21.393                  9.242                 25.766
 RC180  Fr= 1--       0.344                  0.495                  0.178
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.03  -0.01    -0.04  -0.00  -0.03     0.02   0.04  -0.01
     2   6     0.10  -0.04   0.04    -0.09  -0.01  -0.04     0.00   0.02   0.05
     3   6     0.02   0.12   0.09     0.03   0.00   0.05     0.04  -0.05   0.02
     4   6     0.08   0.06  -0.06    -0.01   0.10  -0.02    -0.04   0.06   0.02
     5   6     0.14  -0.07  -0.08     0.08  -0.11  -0.04     0.02  -0.07  -0.02
     6   6     0.02   0.02   0.06    -0.00   0.01   0.03    -0.02  -0.01   0.00
     7   8    -0.03   0.02   0.08    -0.02   0.01   0.03    -0.01   0.00  -0.00
     8   6    -0.05   0.03   0.08     0.01  -0.02  -0.06     0.06  -0.02  -0.02
     9   6    -0.05  -0.11  -0.12     0.08   0.08   0.09    -0.10  -0.09   0.03
    10   6    -0.12  -0.07   0.01    -0.00  -0.10  -0.04     0.01   0.12  -0.06
    11   6    -0.09  -0.01  -0.04    -0.04   0.02  -0.01    -0.00   0.02   0.02
    12   1    -0.08   0.05  -0.07     0.08   0.08   0.19    -0.06  -0.35  -0.35
    13   1    -0.10  -0.29  -0.11    -0.07   0.21   0.02     0.30  -0.04   0.18
    14   1     0.09   0.29   0.05     0.00  -0.06   0.07    -0.02  -0.33   0.08
    15   1     0.08   0.13  -0.14    -0.20  -0.28   0.06    -0.14   0.06  -0.15
    16   1    -0.14  -0.39  -0.13    -0.16   0.14  -0.06     0.25   0.20   0.14
    17   1    -0.05   0.07  -0.13     0.07   0.00   0.07    -0.01   0.01  -0.03
    18   1    -0.11  -0.16   0.10     0.12   0.20  -0.11    -0.01  -0.02  -0.00
    19   1     0.01   0.17  -0.18    -0.00  -0.15   0.16     0.02   0.09  -0.08
    20   1    -0.13   0.09   0.11     0.11  -0.03  -0.02    -0.01  -0.04  -0.08
    21   1    -0.09   0.07   0.06     0.18  -0.09  -0.09    -0.11   0.04   0.04
    22   1     0.01   0.02  -0.03    -0.06   0.06   0.13     0.10  -0.11  -0.16
    23   1    -0.01  -0.10  -0.01    -0.07  -0.21   0.08    -0.11  -0.10   0.07
    24   1     0.07   0.28  -0.19     0.01   0.50  -0.23    -0.01   0.34  -0.15
    25   1     0.02  -0.02  -0.00     0.13   0.01   0.06     0.14   0.03   0.05
    26   1    -0.11  -0.07  -0.08    -0.07  -0.08  -0.07     0.03  -0.03  -0.02
    27   1    -0.14  -0.10  -0.11    -0.08  -0.10  -0.07    -0.05  -0.06  -0.05
                     25                     26                     27
                      A                      A                      A
 Frequencies --    928.4926               947.4214               955.8181
 Red. masses --      2.0466                 2.0144                 1.8424
 Frc consts  --      1.0395                 1.0653                 0.9917
 IR Inten    --      5.7556                12.5946                12.4198
 RamAct Fr= 1--      9.4167                15.6058                10.0648
  Dep-P Fr= 1--      0.6999                 0.3388                 0.6309
  Dep-U Fr= 1--      0.8234                 0.5061                 0.7737
 Alpha2 Fr= 1--      0.0082                 0.1420                 0.0218
 Beta2  Fr= 1--      1.2923                 1.3164                 1.2978
 AlphaG Fr= 1--      0.1912                 0.2689                 0.0071
 Gamma2 Fr= 1--     -1.2304                -1.7035                 0.4073
 Delta2 Fr= 1--     -0.4560                -0.3948                -0.3945
 Raman1 Fr= 1--      37.667                 62.423                 40.259
 ROA1   Fr= 1--    -132.713               -176.168                 26.481
 CID1   Fr= 1--      -3.523                 -2.822                  0.658
 Raman2 Fr= 1--      15.508                 15.797                 15.574
 ROA2   Fr= 1--     -25.883                -37.725                 12.932
 CID2   Fr= 1--      -1.669                 -2.388                  0.830
 Raman3 Fr= 1--      31.016                 31.593                 31.148
 ROA3   Fr= 1--    -132.713               -176.168                 26.481
 CID3   Fr= 1--      -4.279                 -5.576                  0.850
 RC180  Fr= 1--       0.647                  0.012                  0.547
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.03     0.03  -0.03  -0.03    -0.03   0.10   0.01
     2   6    -0.02  -0.04  -0.03     0.03  -0.07  -0.05    -0.06   0.00   0.07
     3   6     0.06  -0.08   0.10     0.00  -0.07  -0.05    -0.05  -0.03   0.00
     4   6    -0.00   0.05  -0.09    -0.02   0.03   0.05     0.01   0.00  -0.01
     5   6    -0.10  -0.05   0.15     0.04  -0.03  -0.05     0.03  -0.00  -0.02
     6   6     0.02  -0.02  -0.03    -0.06  -0.01  -0.01     0.05   0.02   0.02
     7   8     0.03  -0.01  -0.05    -0.01  -0.01  -0.02    -0.01   0.01   0.04
     8   6    -0.06  -0.01   0.00    -0.07   0.02   0.06     0.06  -0.09  -0.04
     9   6    -0.01   0.02  -0.06    -0.07   0.10  -0.09    -0.08   0.04  -0.07
    10   6    -0.01   0.07   0.06     0.11  -0.03   0.10     0.07  -0.05   0.08
    11   6     0.05   0.01  -0.04    -0.01   0.02   0.08    -0.02  -0.02  -0.06
    12   1    -0.03   0.19  -0.00    -0.12   0.44  -0.21    -0.08   0.05  -0.12
    13   1    -0.05  -0.18  -0.05    -0.01   0.01  -0.06    -0.05   0.21  -0.08
    14   1     0.26  -0.15   0.10    -0.09  -0.07  -0.04    -0.02  -0.04   0.01
    15   1     0.11   0.22  -0.11     0.13  -0.04   0.15     0.21  -0.02   0.25
    16   1     0.04  -0.20  -0.01     0.32   0.08   0.29     0.05  -0.02   0.08
    17   1     0.02   0.07  -0.05     0.04   0.21  -0.15    -0.08  -0.36   0.20
    18   1     0.00   0.03  -0.00    -0.07  -0.04   0.12     0.14   0.07  -0.27
    19   1    -0.01  -0.00   0.02    -0.09  -0.03   0.09     0.21   0.16  -0.29
    20   1    -0.02   0.09   0.14    -0.10   0.08   0.12    -0.15   0.14   0.11
    21   1     0.19  -0.06  -0.12     0.01   0.02  -0.01     0.16   0.00  -0.24
    22   1    -0.08   0.14   0.16    -0.06   0.06   0.08     0.21  -0.01  -0.23
    23   1     0.14  -0.03  -0.05    -0.06   0.00   0.05     0.00  -0.04  -0.00
    24   1    -0.36   0.42   0.01     0.18   0.11  -0.10    -0.00  -0.04  -0.01
    25   1    -0.08  -0.04   0.05     0.24   0.08   0.03    -0.15  -0.05  -0.03
    26   1    -0.19  -0.04  -0.03     0.23   0.02   0.03    -0.16  -0.02  -0.04
    27   1     0.22   0.07   0.21    -0.19  -0.10  -0.18     0.07   0.03   0.07
                     28                     29                     30
                      A                      A                      A
 Frequencies --    960.4879               981.5576               996.4541
 Red. masses --      1.8422                 1.6780                 1.7074
 Frc consts  --      1.0013                 0.9525                 0.9988
 IR Inten    --     32.0957                 2.7159                 3.8398
 RamAct Fr= 1--     29.6505                 3.2128                18.7765
  Dep-P Fr= 1--      0.2282                 0.5365                 0.0952
  Dep-U Fr= 1--      0.3716                 0.6983                 0.1738
 Alpha2 Fr= 1--      0.3732                 0.0132                 0.3327
 Beta2  Fr= 1--      1.8366                 0.3739                 0.5438
 AlphaG Fr= 1--     -0.5452                 0.0700                -0.0827
 Gamma2 Fr= 1--     -5.8875                -1.3573                 1.0906
 Delta2 Fr= 1--     -3.0474                -0.4631                 1.0895
 Raman1 Fr= 1--     118.602                 12.851                 75.106
 ROA1   Fr= 1--    -662.717               -145.123                139.556
 CID1   Fr= 1--      -5.588                -11.292                  1.858
 Raman2 Fr= 1--      22.039                  4.487                  6.526
 ROA2   Fr= 1--    -116.921                -28.872                 17.458
 CID2   Fr= 1--      -5.305                 -6.434                  2.675
 Raman3 Fr= 1--      44.078                  8.975                 13.052
 ROA3   Fr= 1--    -662.717               -145.123                139.556
 CID3   Fr= 1--     -15.035                -16.171                 10.692
 RC180  Fr= 1--      -0.257                  0.397                 -0.652
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.07  -0.04    -0.03   0.00   0.10    -0.02  -0.02  -0.04
     2   6    -0.01  -0.06   0.03    -0.03   0.11   0.00    -0.03   0.02   0.02
     3   6     0.08   0.07   0.02    -0.03  -0.05  -0.00     0.07   0.04   0.09
     4   6    -0.00  -0.01   0.01     0.04   0.01  -0.03     0.03  -0.00  -0.04
     5   6    -0.04   0.02   0.03     0.03  -0.01   0.01    -0.03   0.01   0.05
     6   6    -0.10  -0.03  -0.04    -0.06  -0.02  -0.02    -0.04  -0.01  -0.02
     7   8     0.02  -0.02  -0.07     0.00  -0.01  -0.04     0.01  -0.01  -0.04
     8   6    -0.00  -0.08   0.04     0.02   0.02  -0.09     0.07   0.05  -0.02
     9   6     0.03  -0.02   0.02     0.03  -0.03  -0.04    -0.11   0.00  -0.06
    10   6    -0.05  -0.02  -0.05    -0.02   0.01   0.05     0.02  -0.09   0.03
    11   6     0.02   0.04   0.11    -0.02   0.03   0.08     0.01   0.01   0.03
    12   1     0.02   0.01   0.06     0.02  -0.01   0.12    -0.09  -0.19  -0.21
    13   1    -0.01  -0.04   0.01    -0.10  -0.20  -0.07    -0.01   0.42  -0.08
    14   1     0.14   0.20  -0.02     0.08  -0.12   0.01     0.22   0.19   0.05
    15   1    -0.13  -0.03  -0.15     0.12   0.13   0.01     0.15  -0.09   0.22
    16   1    -0.08  -0.04  -0.07    -0.04  -0.18  -0.04    -0.15  -0.10  -0.09
    17   1     0.02  -0.12   0.09    -0.15  -0.35   0.16     0.09   0.12  -0.00
    18   1     0.14   0.16  -0.22    -0.03  -0.16  -0.03     0.05   0.15  -0.02
    19   1     0.12   0.02  -0.08     0.10   0.14  -0.23    -0.06  -0.14   0.18
    20   1    -0.31   0.26   0.26     0.27  -0.15  -0.15     0.14  -0.21  -0.27
    21   1     0.13   0.05  -0.24     0.09  -0.10   0.02    -0.28   0.05   0.25
    22   1     0.21   0.05  -0.23    -0.14   0.04   0.20     0.00  -0.18  -0.08
    23   1     0.05  -0.01   0.02     0.20   0.04  -0.03     0.07  -0.02  -0.03
    24   1     0.06  -0.08   0.06     0.14   0.11  -0.03    -0.07  -0.01   0.06
    25   1     0.29   0.10   0.04     0.25   0.08   0.02     0.09   0.03   0.02
    26   1     0.31   0.05   0.07     0.25   0.02   0.04     0.09   0.01   0.02
    27   1    -0.15  -0.07  -0.15    -0.20  -0.10  -0.19    -0.02  -0.01  -0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1025.8488              1037.4578              1048.7243
 Red. masses --      1.3006                 1.6763                 1.5740
 Frc consts  --      0.8064                 1.0630                 1.0199
 IR Inten    --     19.3907                 9.2872                 3.2106
 RamAct Fr= 1--      5.1465                10.0433                28.3769
  Dep-P Fr= 1--      0.1490                 0.3086                 0.2138
  Dep-U Fr= 1--      0.2594                 0.4717                 0.3523
 Alpha2 Fr= 1--      0.0798                 0.1004                 0.3714
 Beta2  Fr= 1--      0.2225                 0.7895                 1.6661
 AlphaG Fr= 1--     -0.9052                 0.2245                 0.0216
 Gamma2 Fr= 1--     -3.8808                 0.6668                -0.7705
 Delta2 Fr= 1--     -0.1358                 0.1028                 3.1651
 Raman1 Fr= 1--      20.586                 40.173                113.507
 ROA1   Fr= 1--    -376.901                 67.301                 27.320
 CID1   Fr= 1--     -18.309                  1.675                  0.241
 Raman2 Fr= 1--       2.670                  9.474                 19.994
 ROA2   Fr= 1--     -92.052                 15.181                -43.812
 CID2   Fr= 1--     -34.481                  1.602                 -2.191
 Raman3 Fr= 1--       5.339                 18.949                 39.987
 ROA3   Fr= 1--    -376.901                 67.301                 27.320
 CID3   Fr= 1--     -70.591                  3.552                  0.683
 RC180  Fr= 1--      -0.481                 -0.057                 -0.295
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.01  -0.02     0.05   0.02   0.04     0.09   0.01  -0.05
     2   6     0.01   0.00  -0.01    -0.01  -0.00   0.01    -0.03  -0.06   0.05
     3   6    -0.04  -0.03  -0.03     0.06   0.09   0.02    -0.11  -0.02  -0.00
     4   6     0.01  -0.05   0.01    -0.00  -0.06   0.03     0.05  -0.00  -0.06
     5   6     0.02  -0.05   0.00    -0.02  -0.03   0.02     0.03   0.01   0.01
     6   6    -0.01   0.06  -0.02    -0.03   0.10  -0.04    -0.00   0.01  -0.01
     7   8    -0.00  -0.01   0.01     0.01  -0.02   0.00    -0.00  -0.01  -0.01
     8   6     0.03   0.00   0.04    -0.04  -0.01  -0.06    -0.02  -0.05  -0.03
     9   6     0.04   0.00  -0.00    -0.06  -0.00   0.01    -0.01   0.02   0.07
    10   6    -0.02   0.04   0.02     0.03  -0.07  -0.04    -0.00   0.05   0.01
    11   6     0.00  -0.06   0.02     0.03  -0.08   0.02    -0.02  -0.01   0.03
    12   1     0.04  -0.01   0.10    -0.05  -0.00  -0.15     0.04  -0.32   0.03
    13   1    -0.04  -0.01  -0.03     0.06   0.07   0.04     0.06   0.42   0.05
    14   1    -0.07  -0.05  -0.03     0.07   0.08   0.03    -0.03  -0.03  -0.01
    15   1     0.14   0.14   0.04    -0.19  -0.23  -0.03     0.21   0.14   0.14
    16   1    -0.08  -0.09  -0.07     0.11   0.15   0.11    -0.24  -0.07  -0.21
    17   1     0.06  -0.00   0.07    -0.09  -0.03  -0.07     0.02   0.31  -0.26
    18   1     0.10   0.15  -0.10    -0.11  -0.21   0.10    -0.14  -0.13   0.21
    19   1     0.00  -0.14   0.13     0.02   0.19  -0.20    -0.11   0.12  -0.03
    20   1    -0.12   0.02  -0.01     0.15  -0.02   0.03    -0.01   0.07   0.11
    21   1    -0.16   0.09   0.06     0.22  -0.12  -0.10     0.21  -0.08  -0.16
    22   1     0.12  -0.10  -0.19    -0.15   0.13   0.24    -0.01   0.08   0.06
    23   1    -0.03   0.55  -0.17    -0.15   0.27  -0.08     0.24  -0.02  -0.04
    24   1    -0.02   0.47  -0.16    -0.12   0.18  -0.04     0.09  -0.01   0.02
    25   1    -0.15  -0.01  -0.15    -0.27  -0.04  -0.21     0.04   0.02  -0.03
    26   1     0.17   0.12   0.11     0.20   0.18   0.17     0.11   0.02   0.03
    27   1    -0.05   0.10  -0.06     0.02   0.19  -0.01    -0.10  -0.02  -0.09
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1055.1060              1153.6606              1182.6438
 Red. masses --      1.5960                 1.6853                 1.6882
 Frc consts  --      1.0468                 1.3216                 1.3912
 IR Inten    --      2.8316                22.1074                41.9542
 RamAct Fr= 1--      5.4841                58.0979                13.8878
  Dep-P Fr= 1--      0.7449                 0.4108                 0.6376
  Dep-U Fr= 1--      0.8538                 0.5824                 0.7787
 Alpha2 Fr= 1--      0.0005                 0.4138                 0.0283
 Beta2  Fr= 1--      0.7804                 5.6395                 1.8023
 AlphaG Fr= 1--     -0.0651                 0.9169                -0.0916
 Gamma2 Fr= 1--      0.5890                 4.8142                -0.3028
 Delta2 Fr= 1--     -0.1777                -0.3547                 0.7361
 Raman1 Fr= 1--      21.936                232.392                 55.551
 ROA1   Fr= 1--      50.853                450.811                 -5.515
 CID1   Fr= 1--       2.318                  1.940                 -0.099
 Raman2 Fr= 1--       9.364                 67.674                 21.628
 ROA2   Fr= 1--      15.557                118.378                -13.156
 CID2   Fr= 1--       1.661                  1.749                 -0.608
 Raman3 Fr= 1--      18.729                135.347                 43.256
 ROA3   Fr= 1--      50.853                450.811                 -5.515
 CID3   Fr= 1--       2.715                  3.331                 -0.128
 RC180  Fr= 1--       0.708                  0.165                  0.557
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01   0.01     0.04   0.01   0.06    -0.01  -0.01  -0.03
     2   6    -0.01  -0.00   0.01    -0.06  -0.00  -0.10     0.02   0.02   0.07
     3   6     0.01   0.04  -0.00     0.09  -0.12  -0.03     0.02   0.03  -0.05
     4   6     0.02  -0.11   0.03    -0.05   0.03   0.05    -0.05  -0.00   0.04
     5   6    -0.01   0.05  -0.01    -0.00  -0.02  -0.02    -0.00  -0.01  -0.05
     6   6     0.02  -0.14   0.04    -0.04  -0.01   0.01    -0.16  -0.02   0.01
     7   8    -0.00   0.03  -0.01     0.00   0.01   0.02     0.02   0.02   0.05
     8   6    -0.01  -0.01  -0.02     0.01   0.00   0.03    -0.02  -0.01  -0.03
     9   6    -0.02   0.00   0.01     0.00   0.06  -0.01     0.00  -0.02  -0.01
    10   6     0.01  -0.02  -0.01     0.01   0.02   0.06    -0.04  -0.01  -0.00
    11   6    -0.02   0.10  -0.03     0.03   0.00  -0.02     0.08  -0.00  -0.05
    12   1    -0.01  -0.04  -0.04     0.07  -0.41   0.10    -0.00   0.02   0.02
    13   1     0.02   0.09   0.01    -0.03   0.16  -0.03    -0.02   0.07  -0.03
    14   1     0.00   0.01   0.01     0.03   0.60  -0.19     0.39  -0.17  -0.04
    15   1    -0.02  -0.05   0.02    -0.12   0.03  -0.17     0.17   0.11   0.08
    16   1     0.01   0.04   0.01    -0.13  -0.14  -0.11     0.01  -0.06   0.02
    17   1    -0.03   0.01  -0.03    -0.12  -0.07  -0.05     0.06   0.06   0.00
    18   1    -0.03  -0.07   0.03    -0.09  -0.22   0.08     0.02   0.09   0.00
    19   1     0.00   0.06  -0.06     0.00   0.17  -0.16    -0.02  -0.07   0.08
    20   1     0.03   0.01   0.02    -0.10   0.02  -0.01     0.08   0.00   0.03
    21   1     0.08  -0.04  -0.04    -0.10   0.07   0.02     0.11  -0.07  -0.04
    22   1    -0.03   0.04   0.06     0.05  -0.04  -0.08    -0.04   0.06   0.07
    23   1    -0.12   0.65  -0.21    -0.10   0.03   0.05     0.16   0.03   0.04
    24   1    -0.06   0.24  -0.07     0.13   0.09  -0.06     0.62   0.06  -0.08
    25   1     0.29   0.03   0.25    -0.04  -0.02   0.03    -0.10  -0.06   0.07
    26   1    -0.26  -0.21  -0.20    -0.06   0.01  -0.00    -0.12   0.06   0.04
    27   1     0.04  -0.21   0.07     0.10   0.04   0.09     0.30   0.14   0.26
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1203.5624              1215.3531              1233.3758
 Red. masses --      1.8657                 1.8298                 1.5772
 Frc consts  --      1.5923                 1.5924                 1.4136
 IR Inten    --     17.6000                20.5364                 3.7572
 RamAct Fr= 1--      8.5015                 4.7472                45.6794
  Dep-P Fr= 1--      0.2896                 0.6277                 0.4270
  Dep-U Fr= 1--      0.4491                 0.7713                 0.5985
 Alpha2 Fr= 1--      0.0899                 0.0106                 0.3063
 Beta2  Fr= 1--      0.6364                 0.6103                 4.5564
 AlphaG Fr= 1--      0.1110                -0.0353                 0.1394
 Gamma2 Fr= 1--      1.0824                 3.7356                 0.8963
 Delta2 Fr= 1--     -0.7710                 1.1977                 1.4354
 Raman1 Fr= 1--      34.006                 18.989                182.718
 ROA1   Fr= 1--      79.242                396.944                131.977
 CID1   Fr= 1--       2.330                 20.904                  0.722
 Raman2 Fr= 1--       7.637                  7.323                 54.677
 ROA2   Fr= 1--      32.147                 80.072                 10.027
 CID2   Fr= 1--       4.209                 10.934                  0.183
 Raman3 Fr= 1--      15.274                 14.646                109.354
 ROA3   Fr= 1--      79.242                396.944                131.977
 CID3   Fr= 1--       5.188                 27.102                  1.207
 RC180  Fr= 1--      -0.102                  0.543                  0.197
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.03  -0.00     0.01   0.03   0.04     0.04  -0.01   0.03
     2   6     0.18  -0.04   0.05    -0.02  -0.07  -0.09    -0.07   0.03  -0.07
     3   6     0.04  -0.09  -0.04    -0.05  -0.02   0.09     0.09   0.02  -0.07
     4   6    -0.02   0.03   0.03     0.06  -0.01  -0.07    -0.06   0.01   0.07
     5   6    -0.01  -0.01  -0.00     0.01  -0.00  -0.01    -0.01  -0.00   0.00
     6   6     0.04   0.00  -0.00    -0.12  -0.02   0.00     0.08   0.01   0.00
     7   8    -0.01  -0.00  -0.00     0.02   0.01   0.01    -0.01  -0.00  -0.01
     8   6    -0.08   0.03  -0.05     0.02   0.03   0.03     0.01  -0.01   0.02
     9   6    -0.05  -0.03   0.05    -0.03  -0.03   0.09    -0.00  -0.04   0.07
    10   6    -0.02   0.04  -0.05     0.06   0.02  -0.08    -0.04  -0.01  -0.05
    11   6    -0.01   0.00   0.01     0.04   0.00  -0.02    -0.02  -0.00   0.01
    12   1    -0.04  -0.02  -0.12    -0.09   0.47  -0.21    -0.05   0.33  -0.12
    13   1     0.11   0.17   0.08     0.15  -0.15   0.18     0.06  -0.00   0.09
    14   1    -0.12   0.47  -0.16    -0.32   0.16   0.06     0.39  -0.24  -0.03
    15   1     0.28   0.12   0.23     0.09  -0.08   0.21     0.46   0.15   0.37
    16   1    -0.10   0.03  -0.11    -0.22   0.16  -0.23    -0.22  -0.05  -0.19
    17   1     0.06  -0.13   0.19    -0.10  -0.13   0.02    -0.08  -0.02  -0.07
    18   1     0.13   0.17  -0.20     0.01  -0.09  -0.06    -0.07  -0.14   0.08
    19   1     0.14  -0.11   0.01     0.07   0.11  -0.13    -0.04   0.09  -0.05
    20   1     0.17   0.00   0.06    -0.05  -0.03  -0.07    -0.08   0.02  -0.00
    21   1     0.14  -0.13   0.02    -0.15   0.06   0.11    -0.05   0.05  -0.03
    22   1    -0.21   0.16   0.29    -0.01  -0.08  -0.02     0.06  -0.02  -0.08
    23   1    -0.12   0.01   0.03     0.22   0.02  -0.08    -0.18  -0.03   0.08
    24   1    -0.10   0.02  -0.01     0.17   0.04  -0.03    -0.10  -0.02   0.01
    25   1     0.01   0.01  -0.01    -0.02  -0.03   0.06     0.00   0.02  -0.04
    26   1     0.01  -0.02  -0.01    -0.03   0.05   0.03     0.01  -0.03  -0.02
    27   1    -0.06  -0.03  -0.05     0.16   0.07   0.15    -0.09  -0.04  -0.09
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1244.3785              1261.9541              1277.2339
 Red. masses --      1.8557                 1.4447                 1.4974
 Frc consts  --      1.6930                 1.3556                 1.4393
 IR Inten    --      2.4328                35.5767                 1.1178
 RamAct Fr= 1--      3.4123                16.4125                10.3002
  Dep-P Fr= 1--      0.3366                 0.3110                 0.3240
  Dep-U Fr= 1--      0.5037                 0.4744                 0.4894
 Alpha2 Fr= 1--      0.0313                 0.1628                 0.0982
 Beta2  Fr= 1--      0.2864                 1.2978                 0.8402
 AlphaG Fr= 1--      0.0789                -0.0029                 0.1016
 Gamma2 Fr= 1--      0.5422                 0.5057                 1.9981
 Delta2 Fr= 1--     -0.0701                -1.1675                 0.9043
 Raman1 Fr= 1--      13.649                 65.650                 41.201
 ROA1   Fr= 1--      49.805                 11.183                220.757
 CID1   Fr= 1--       3.649                  0.170                  5.358
 Raman2 Fr= 1--       3.437                 15.573                 10.082
 ROA2   Fr= 1--      13.573                 21.476                 40.721
 CID2   Fr= 1--       3.949                  1.379                  4.039
 Raman3 Fr= 1--       6.875                 31.146                 20.164
 ROA3   Fr= 1--      49.805                 11.183                220.757
 CID3   Fr= 1--       7.245                  0.359                 10.948
 RC180  Fr= 1--       0.007                 -0.051                 -0.021
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.06   0.00    -0.00  -0.00  -0.02     0.03  -0.01  -0.02
     2   6     0.07   0.18  -0.05    -0.01   0.00   0.05    -0.08   0.03   0.06
     3   6    -0.01  -0.01   0.04    -0.06  -0.02  -0.00    -0.02  -0.07   0.06
     4   6     0.02   0.00  -0.02    -0.07  -0.01   0.02    -0.02  -0.01  -0.02
     5   6     0.01   0.00   0.00    -0.03  -0.01  -0.00    -0.01  -0.00   0.01
     6   6    -0.03  -0.01   0.00     0.09   0.02   0.00     0.04   0.01   0.00
     7   8     0.01   0.00  -0.00    -0.02  -0.00   0.01    -0.01  -0.00  -0.00
     8   6    -0.03  -0.07   0.02     0.00   0.00  -0.01     0.03  -0.01  -0.01
     9   6    -0.07   0.10   0.01    -0.04   0.00  -0.01     0.04   0.00  -0.01
    10   6     0.03  -0.06  -0.04     0.12   0.02   0.02    -0.07  -0.01  -0.11
    11   6     0.01   0.00  -0.00    -0.03  -0.00   0.01    -0.01   0.00   0.01
    12   1    -0.00  -0.44  -0.10    -0.06   0.17  -0.09     0.03   0.11   0.08
    13   1     0.12  -0.54   0.17     0.09  -0.32   0.09    -0.03  -0.16  -0.01
    14   1    -0.08   0.03   0.04     0.47   0.20  -0.09     0.13   0.53  -0.08
    15   1     0.17  -0.10   0.27    -0.31  -0.17  -0.20     0.21   0.05   0.21
    16   1    -0.11   0.04  -0.09    -0.31   0.03  -0.29     0.47   0.22   0.36
    17   1     0.04   0.01   0.03     0.04   0.04  -0.00     0.01   0.09  -0.08
    18   1    -0.05  -0.02   0.11     0.01   0.06   0.01    -0.02   0.03   0.07
    19   1    -0.09  -0.14   0.18    -0.02  -0.03   0.04    -0.08   0.04   0.01
    20   1    -0.13   0.13   0.19     0.05  -0.02  -0.02     0.01  -0.03  -0.05
    21   1     0.11   0.03  -0.21     0.02  -0.02   0.01    -0.01   0.01  -0.01
    22   1     0.12   0.13  -0.07    -0.00  -0.01  -0.01     0.04  -0.04  -0.06
    23   1     0.01  -0.01  -0.02     0.26   0.08   0.01     0.22   0.06  -0.03
    24   1    -0.04   0.00  -0.00     0.25   0.05  -0.01     0.12   0.05  -0.00
    25   1     0.00  -0.01   0.02    -0.01   0.02  -0.05    -0.01   0.01  -0.03
    26   1    -0.00   0.02   0.01    -0.00  -0.05  -0.03    -0.00  -0.03  -0.02
    27   1     0.04   0.02   0.03    -0.10  -0.05  -0.10    -0.05  -0.02  -0.04
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1291.4346              1307.3593              1339.0706
 Red. masses --      2.0109                 1.7713                 1.4373
 Frc consts  --      1.9760                 1.7837                 1.5184
 IR Inten    --     11.9040                24.3228                 0.6940
 RamAct Fr= 1--      8.6161                 2.3150                36.0248
  Dep-P Fr= 1--      0.3614                 0.5363                 0.2787
  Dep-U Fr= 1--      0.5310                 0.6982                 0.4359
 Alpha2 Fr= 1--      0.0729                 0.0095                 0.3934
 Beta2  Fr= 1--      0.7625                 0.2694                 2.6173
 AlphaG Fr= 1--      0.0799                 0.0055                -0.0486
 Gamma2 Fr= 1--     -3.4166                -0.0864                -0.8126
 Delta2 Fr= 1--     -4.0073                -0.3345                 0.1907
 Raman1 Fr= 1--      34.464                  9.260                144.099
 ROA1   Fr= 1--    -456.229                -18.995                -71.907
 CID1   Fr= 1--     -13.238                 -2.051                 -0.499
 Raman2 Fr= 1--       9.150                  3.233                 31.408
 ROA2   Fr= 1--     -49.941                  0.602                -21.028
 CID2   Fr= 1--      -5.458                  0.186                 -0.670
 Raman3 Fr= 1--      18.300                  6.465                 62.816
 ROA3   Fr= 1--    -456.229                -18.995                -71.907
 CID3   Fr= 1--     -24.931                 -2.938                 -1.145
 RC180  Fr= 1--       0.062                  0.396                 -0.128
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.07  -0.02     0.02   0.01  -0.04     0.01   0.00  -0.01
     2   6    -0.03   0.20   0.05    -0.10  -0.06   0.16    -0.02  -0.00   0.03
     3   6     0.01  -0.06  -0.01     0.04  -0.02  -0.08     0.04   0.01  -0.01
     4   6     0.03   0.01  -0.01     0.05   0.00   0.02     0.01   0.04   0.12
     5   6     0.02   0.00   0.01     0.05   0.01   0.01    -0.02  -0.04  -0.13
     6   6    -0.04  -0.01   0.00    -0.07  -0.01  -0.00    -0.03  -0.00   0.00
     7   8     0.01   0.00  -0.00     0.01   0.00  -0.00     0.00   0.00   0.00
     8   6     0.00  -0.07  -0.01     0.02   0.03  -0.04     0.00   0.00  -0.01
     9   6     0.01  -0.16  -0.00     0.01   0.06  -0.03    -0.00   0.00  -0.01
    10   6     0.04   0.03   0.03     0.01   0.01   0.01    -0.00  -0.00   0.01
    11   6     0.01   0.00  -0.01     0.01  -0.00  -0.01     0.02   0.00  -0.00
    12   1    -0.09   0.53  -0.12     0.01   0.05   0.06    -0.01   0.02   0.03
    13   1    -0.09   0.35  -0.12     0.05  -0.56   0.08     0.02  -0.05   0.01
    14   1    -0.24   0.27  -0.06    -0.18   0.10  -0.09    -0.12  -0.00   0.01
    15   1    -0.20  -0.06  -0.12     0.09   0.03   0.07     0.02   0.02  -0.00
    16   1    -0.08  -0.08  -0.10    -0.19  -0.05  -0.17    -0.05  -0.02  -0.03
    17   1     0.07   0.13  -0.05     0.04   0.16  -0.10     0.01   0.01  -0.01
    18   1    -0.04   0.07   0.16     0.04   0.11   0.01    -0.01   0.02   0.04
    19   1    -0.14  -0.04   0.10    -0.05   0.06  -0.04    -0.04   0.01   0.01
    20   1    -0.05   0.08   0.11     0.14  -0.11  -0.13     0.02  -0.01  -0.01
    21   1     0.08   0.02  -0.17     0.07  -0.07   0.05     0.02  -0.01   0.00
    22   1     0.10   0.12  -0.04    -0.03  -0.10  -0.03    -0.01  -0.01  -0.00
    23   1    -0.21  -0.01  -0.01    -0.52  -0.06   0.01     0.70   0.16   0.12
    24   1    -0.14   0.01   0.00    -0.22  -0.03   0.02    -0.60  -0.14  -0.11
    25   1     0.02  -0.01   0.03     0.03  -0.02   0.05    -0.02  -0.02   0.03
    26   1     0.01   0.03   0.02     0.02   0.05   0.03    -0.02   0.03   0.02
    27   1     0.05   0.02   0.05     0.07   0.04   0.07     0.03   0.01   0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1377.9735              1392.4718              1405.9125
 Red. masses --      1.3209                 1.5796                 1.2727
 Frc consts  --      1.4777                 1.8046                 1.4822
 IR Inten    --      3.9951                96.3392                 7.9052
 RamAct Fr= 1--      2.2361                 3.9143                 0.8613
  Dep-P Fr= 1--      0.6173                 0.2153                 0.4266
  Dep-U Fr= 1--      0.7634                 0.3543                 0.5981
 Alpha2 Fr= 1--      0.0054                 0.0510                 0.0058
 Beta2  Fr= 1--      0.2845                 0.2312                 0.0859
 AlphaG Fr= 1--      0.0135                 0.0431                -0.0126
 Gamma2 Fr= 1--      0.2412                 0.6266                -0.2633
 Delta2 Fr= 1--      0.1849                 0.0147                -0.0185
 Raman1 Fr= 1--       8.944                 15.657                  3.445
 ROA1   Fr= 1--      29.070                 60.621                -25.873
 CID1   Fr= 1--       3.250                  3.872                 -7.510
 Raman2 Fr= 1--       3.414                  2.774                  1.030
 ROA2   Fr= 1--       4.309                 14.920                 -6.172
 CID2   Fr= 1--       1.262                  5.379                 -5.991
 Raman3 Fr= 1--       6.828                  5.548                  2.061
 ROA3   Fr= 1--      29.070                 60.621                -25.873
 CID3   Fr= 1--       4.257                 10.927                -12.557
 RC180  Fr= 1--       0.527                 -0.291                  0.196
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.00    -0.00   0.01  -0.00     0.03   0.06  -0.06
     2   6     0.02  -0.01  -0.03     0.02  -0.01  -0.03    -0.02  -0.01   0.03
     3   6    -0.09  -0.02   0.01    -0.11  -0.02   0.01     0.02   0.00  -0.01
     4   6     0.02   0.01   0.02     0.05   0.01   0.02    -0.00  -0.00  -0.00
     5   6     0.06   0.01  -0.01     0.08   0.01  -0.01    -0.01   0.00   0.00
     6   6    -0.02  -0.00   0.01    -0.10  -0.02   0.00     0.00   0.00  -0.00
     7   8     0.00  -0.00  -0.01     0.01   0.00  -0.01    -0.00   0.00   0.00
     8   6     0.00   0.00   0.01     0.00  -0.00   0.00     0.08  -0.04  -0.08
     9   6     0.00  -0.00   0.01     0.00  -0.00   0.01     0.00   0.00  -0.01
    10   6     0.01   0.00  -0.01     0.01   0.00  -0.01    -0.00  -0.00   0.00
    11   6    -0.08  -0.03  -0.06     0.11   0.04   0.06    -0.00  -0.00  -0.00
    12   1     0.00  -0.01   0.01     0.00  -0.00   0.02     0.00   0.02   0.02
    13   1     0.02   0.05   0.01     0.02   0.05   0.01     0.01  -0.05   0.00
    14   1     0.48   0.07  -0.05     0.50   0.08  -0.05    -0.08   0.01  -0.01
    15   1    -0.04  -0.01  -0.04    -0.04  -0.01  -0.04     0.03   0.03  -0.02
    16   1     0.06   0.08   0.05     0.06   0.08   0.05    -0.03   0.02  -0.01
    17   1    -0.01  -0.06   0.03    -0.01  -0.07   0.04    -0.00  -0.31   0.12
    18   1    -0.03  -0.05  -0.01    -0.04  -0.06  -0.00    -0.23  -0.22   0.16
    19   1     0.03  -0.04   0.03     0.03  -0.05   0.05    -0.03  -0.16   0.32
    20   1    -0.02   0.02   0.02    -0.02   0.02   0.02    -0.25   0.31   0.17
    21   1    -0.03   0.01   0.02    -0.03   0.01   0.02    -0.40   0.04   0.21
    22   1     0.00   0.00   0.00     0.00   0.00   0.01    -0.16   0.11   0.41
    23   1    -0.12  -0.01   0.02    -0.22  -0.02   0.02    -0.02   0.01  -0.01
    24   1    -0.31  -0.05   0.01    -0.35  -0.06   0.01     0.04   0.01   0.00
    25   1     0.37  -0.07   0.28    -0.38   0.04  -0.20     0.01   0.00   0.00
    26   1     0.30   0.33   0.15    -0.33  -0.26  -0.10     0.01   0.00   0.00
    27   1     0.19   0.13   0.31    -0.13  -0.11  -0.27     0.00   0.00   0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1423.3862              1464.8760              1474.3419
 Red. masses --      1.2281                 1.0593                 1.0480
 Frc consts  --      1.4660                 1.3392                 1.3421
 IR Inten    --      3.4443                15.0515                 9.1524
 RamAct Fr= 1--      1.0625                 8.1115                 6.3061
  Dep-P Fr= 1--      0.7412                 0.4344                 0.7493
  Dep-U Fr= 1--      0.8513                 0.6057                 0.8567
 Alpha2 Fr= 1--      0.0002                 0.0529                 0.0001
 Beta2  Fr= 1--      0.1508                 0.8189                 0.9004
 AlphaG Fr= 1--     -0.0002                 0.0159                 0.0026
 Gamma2 Fr= 1--     -0.2282                 0.3770                -0.1909
 Delta2 Fr= 1--     -0.1241                 0.0973                -0.0045
 Raman1 Fr= 1--       4.250                 32.446                 25.224
 ROA1   Fr= 1--     -25.875                 39.309                -18.475
 CID1   Fr= 1--      -6.088                  1.212                 -0.732
 Raman2 Fr= 1--       1.809                  9.827                 10.804
 ROA2   Fr= 1--      -4.482                  8.270                 -4.546
 CID2   Fr= 1--      -2.478                  0.842                 -0.421
 Raman3 Fr= 1--       3.618                 19.654                 21.609
 ROA3   Fr= 1--     -25.875                 39.309                -18.475
 CID3   Fr= 1--      -7.152                  2.000                 -0.855
 RC180  Fr= 1--       0.703                  0.211                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.08  -0.07    -0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.01   0.01    -0.00   0.00   0.00     0.00   0.00  -0.00
     3   6     0.01  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01    -0.00  -0.00   0.00
     5   6    -0.01  -0.00   0.00    -0.00   0.00   0.01    -0.00   0.01  -0.00
     6   6     0.00   0.00  -0.00     0.01   0.01   0.02     0.00  -0.02   0.01
     7   8    -0.00   0.00   0.00    -0.00  -0.01  -0.02    -0.00   0.00  -0.00
     8   6    -0.06   0.04   0.05     0.00   0.00   0.00    -0.00  -0.00   0.00
     9   6     0.01  -0.01   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   6    -0.00   0.01   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6    -0.00  -0.00  -0.00     0.05  -0.00  -0.03     0.01  -0.05   0.02
    12   1    -0.00   0.03  -0.06     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   1    -0.06   0.02  -0.03    -0.00  -0.00  -0.00     0.00   0.00   0.00
    14   1    -0.07   0.02  -0.00    -0.02  -0.00   0.00    -0.00   0.00  -0.00
    15   1    -0.01  -0.01   0.02     0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   1     0.01  -0.03  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    17   1    -0.01  -0.37   0.15     0.01   0.00   0.00    -0.00   0.00  -0.00
    18   1    -0.29  -0.32   0.15    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    19   1     0.01  -0.23   0.40     0.01  -0.00  -0.00     0.00  -0.00   0.00
    20   1     0.20  -0.24  -0.15    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   1     0.34  -0.06  -0.13     0.00   0.00  -0.00    -0.00   0.00  -0.00
    22   1     0.10  -0.13  -0.32    -0.00  -0.00   0.00     0.00   0.00   0.00
    23   1    -0.00   0.01  -0.01    -0.00  -0.00  -0.01    -0.00   0.01  -0.00
    24   1     0.03   0.01  -0.00     0.05   0.01   0.01     0.00  -0.01   0.00
    25   1     0.00   0.00  -0.00    -0.16  -0.23   0.56     0.45   0.09  -0.15
    26   1     0.01  -0.00  -0.00    -0.27   0.44   0.35    -0.47   0.02   0.12
    27   1     0.00   0.00   0.00    -0.21  -0.15  -0.37    -0.12   0.68  -0.21
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1483.1675              1485.6669              1492.5499
 Red. masses --      1.0673                 1.0452                 1.0650
 Frc consts  --      1.3833                 1.3593                 1.3979
 IR Inten    --      1.5335                 0.6249                 6.0465
 RamAct Fr= 1--      6.2178                 9.7180                 6.4229
  Dep-P Fr= 1--      0.6998                 0.7375                 0.7495
  Dep-U Fr= 1--      0.8234                 0.8489                 0.8568
 Alpha2 Fr= 1--      0.0054                 0.0021                 0.0001
 Beta2  Fr= 1--      0.8533                 1.3749                 0.9172
 AlphaG Fr= 1--     -0.0271                 0.0023                -0.0017
 Gamma2 Fr= 1--     -2.2047                -0.2338                 2.0552
 Delta2 Fr= 1--     -0.7892                 0.2349                 0.7956
 Raman1 Fr= 1--      24.871                 38.872                 25.692
 ROA1   Fr= 1--    -236.909                -14.932                222.757
 CID1   Fr= 1--      -9.525                 -0.384                  8.670
 Raman2 Fr= 1--      10.239                 16.499                 11.006
 ROA2   Fr= 1--     -46.600                 -7.492                 42.960
 CID2   Fr= 1--      -4.551                 -0.454                  3.903
 Raman3 Fr= 1--      20.478                 32.999                 22.013
 ROA3   Fr= 1--    -236.909                -14.932                222.757
 CID3   Fr= 1--     -11.569                 -0.453                 10.120
 RC180  Fr= 1--       0.647                  0.698                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.01    -0.04  -0.00  -0.02    -0.02   0.02   0.02
     2   6    -0.01  -0.00   0.01    -0.00   0.00   0.00    -0.01   0.01   0.02
     3   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.01  -0.02   0.01     0.03   0.00   0.03    -0.00  -0.02   0.00
     9   6    -0.02  -0.00  -0.04     0.00   0.00   0.00     0.02   0.00   0.02
    10   6    -0.00   0.04  -0.02    -0.00   0.00  -0.00     0.00  -0.04   0.02
    11   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    12   1    -0.03   0.07   0.37    -0.00   0.00  -0.01     0.01  -0.02  -0.23
    13   1     0.36   0.05   0.12    -0.01  -0.01   0.00    -0.23  -0.06  -0.07
    14   1    -0.01  -0.00  -0.00     0.01   0.00  -0.00    -0.03   0.02  -0.00
    15   1    -0.15  -0.20   0.26    -0.01  -0.01   0.02     0.17   0.22  -0.28
    16   1     0.14  -0.33  -0.04     0.00  -0.03  -0.01    -0.16   0.36   0.05
    17   1    -0.03   0.17  -0.09     0.37   0.18   0.27    -0.05   0.25  -0.15
    18   1    -0.01  -0.25  -0.19    -0.18  -0.06   0.21     0.01  -0.32  -0.28
    19   1     0.23  -0.16   0.06     0.33  -0.07  -0.22     0.29  -0.21   0.08
    20   1     0.18  -0.10  -0.01    -0.36  -0.14  -0.33     0.14  -0.10  -0.03
    21   1    -0.19   0.16  -0.10     0.10   0.19  -0.31    -0.15   0.14  -0.11
    22   1     0.14   0.30   0.01    -0.17  -0.12   0.24     0.11   0.25   0.02
    23   1     0.00   0.00   0.00    -0.00   0.01  -0.00     0.02  -0.00   0.00
    24   1     0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.00  -0.00  -0.00
    25   1    -0.00  -0.00   0.00    -0.00   0.00  -0.01    -0.00   0.00  -0.00
    26   1     0.00   0.00  -0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    27   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1501.8407              1505.4414              1509.2461
 Red. masses --      1.0917                 1.0660                 1.0658
 Frc consts  --      1.4508                 1.4234                 1.4304
 IR Inten    --      3.8785                 8.9955                 5.7837
 RamAct Fr= 1--      9.9061                 7.6409                 0.3622
  Dep-P Fr= 1--      0.6203                 0.6907                 0.3420
  Dep-U Fr= 1--      0.7657                 0.8170                 0.5096
 Alpha2 Fr= 1--      0.0235                 0.0079                 0.0033
 Beta2  Fr= 1--      1.2641                 1.0405                 0.0308
 AlphaG Fr= 1--      0.0014                -0.0278                -0.0050
 Gamma2 Fr= 1--     -0.8380                 0.0053                -0.2760
 Delta2 Fr= 1--      0.1877                 1.7499                 0.0426
 Raman1 Fr= 1--      39.625                 30.563                  1.449
 ROA1   Fr= 1--     -74.438                 56.509                -25.130
 CID1   Fr= 1--      -1.879                  1.849                -17.343
 Raman2 Fr= 1--      15.170                 12.486                  0.369
 ROA2   Fr= 1--     -21.613                -13.871                 -6.963
 CID2   Fr= 1--      -1.425                 -1.111                -18.859
 Raman3 Fr= 1--      30.340                 24.971                  0.738
 ROA3   Fr= 1--     -74.438                 56.509                -25.130
 CID3   Fr= 1--      -2.453                  2.263                -34.030
 RC180  Fr= 1--       0.531                  0.634                  0.019
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00   0.00     0.01  -0.01  -0.03    -0.02  -0.01  -0.02
     2   6    -0.02   0.03  -0.02    -0.00  -0.03  -0.01    -0.03  -0.02  -0.02
     3   6     0.01  -0.00   0.01     0.00   0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00  -0.00  -0.01    -0.00  -0.00  -0.01    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     8   6    -0.01   0.02  -0.02    -0.02  -0.02   0.02    -0.02  -0.01  -0.02
     9   6    -0.03  -0.02  -0.04    -0.02  -0.00  -0.02     0.02   0.01   0.03
    10   6     0.00  -0.04   0.01    -0.00  -0.03   0.01    -0.00   0.02  -0.01
    11   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    12   1    -0.04   0.09   0.37    -0.02   0.03   0.24     0.03  -0.04  -0.24
    13   1     0.37   0.08   0.12     0.23   0.05   0.08    -0.24  -0.06  -0.07
    14   1    -0.04   0.01   0.01    -0.02  -0.01   0.01     0.01  -0.01   0.00
    15   1     0.13   0.15  -0.20     0.13   0.16  -0.21    -0.06  -0.08   0.12
    16   1    -0.11   0.26   0.03    -0.12   0.27   0.03     0.07  -0.15  -0.02
    17   1     0.15   0.17   0.07     0.12  -0.21   0.20     0.34   0.12   0.26
    18   1    -0.09  -0.15   0.02    -0.06   0.26   0.30    -0.17   0.01   0.25
    19   1     0.24  -0.11  -0.07    -0.19   0.17  -0.10     0.24  -0.00  -0.24
    20   1    -0.01   0.19   0.20     0.24  -0.18  -0.05     0.33   0.11   0.29
    21   1     0.17  -0.28   0.26    -0.20   0.21  -0.15    -0.16  -0.13   0.27
    22   1    -0.04  -0.28  -0.17     0.17   0.37  -0.01     0.17   0.16  -0.20
    23   1    -0.00  -0.00  -0.01    -0.02  -0.00  -0.01     0.01   0.01  -0.00
    24   1     0.01   0.00   0.00     0.01   0.00   0.00    -0.01  -0.00  -0.00
    25   1    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    26   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    27   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1674.1597              1761.9057              3020.5435
 Red. masses --      6.6567                 8.4459                 1.0348
 Frc consts  --     10.9927                15.4476                 5.5627
 IR Inten    --    253.6549               111.4582                23.6476
 RamAct Fr= 1--    700.2244                27.5261                40.7767
  Dep-P Fr= 1--      0.2678                 0.6803                 0.0672
  Dep-U Fr= 1--      0.4225                 0.8097                 0.1259
 Alpha2 Fr= 1--      7.8900                 0.0338                 0.7731
 Beta2  Fr= 1--     49.3105                 3.7147                 0.8554
 AlphaG Fr= 1--     -1.6870                 0.0754                 0.1442
 Gamma2 Fr= 1--    -21.5848                 1.3347                -2.1400
 Delta2 Fr= 1--      2.7370                 0.0268                -1.6920
 Raman1 Fr= 1--    2800.898                110.105                163.107
 ROA1   Fr= 1--   -1984.560                128.987               -259.586
 CID1   Fr= 1--      -0.709                  1.171                 -1.592
 Raman2 Fr= 1--     591.726                 44.576                 10.265
 ROA2   Fr= 1--    -539.933                 31.818                -37.825
 CID2   Fr= 1--      -0.912                  0.714                 -3.685
 Raman3 Fr= 1--    1183.452                 89.153                 20.531
 ROA3   Fr= 1--   -1984.560                128.987               -259.586
 CID3   Fr= 1--      -1.677                  1.447                -12.644
 RC180  Fr= 1--      -0.155                  0.619                 -0.748
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.02   0.01
     2   6    -0.02   0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.08  -0.02   0.01    -0.04  -0.01  -0.00    -0.00  -0.00  -0.00
     4   6     0.43   0.11   0.12     0.22   0.06   0.08    -0.00   0.00  -0.00
     5   6    -0.40  -0.10  -0.10    -0.22  -0.07  -0.11    -0.00   0.00   0.00
     6   6     0.08  -0.06  -0.25    -0.01   0.18   0.57     0.00  -0.00  -0.00
     7   8    -0.02   0.05   0.16     0.02  -0.11  -0.36    -0.00   0.00   0.00
     8   6     0.01  -0.00   0.00     0.00  -0.00  -0.00    -0.03   0.02   0.03
     9   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.01  -0.01  -0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00   0.00   0.01    -0.00  -0.01  -0.04    -0.00   0.00   0.00
    12   1     0.00   0.01   0.02     0.00   0.00   0.00    -0.02  -0.00   0.00
    13   1     0.01   0.00   0.00    -0.00  -0.00  -0.00     0.01  -0.00  -0.01
    14   1     0.21   0.05  -0.01     0.10   0.01  -0.02     0.00   0.01   0.03
    15   1     0.02   0.01  -0.01     0.01   0.00   0.00     0.00  -0.01  -0.00
    16   1     0.03   0.06   0.04     0.00   0.01   0.00    -0.01  -0.00   0.01
    17   1     0.01   0.00   0.01     0.00   0.00   0.00     0.12  -0.07  -0.12
    18   1    -0.02  -0.02   0.02    -0.00  -0.01   0.00    -0.23   0.11  -0.14
    19   1     0.01   0.00  -0.01     0.01  -0.00  -0.00     0.13   0.20   0.14
    20   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.14   0.33  -0.28
    21   1    -0.01   0.00   0.01    -0.00   0.00  -0.00    -0.23  -0.40  -0.28
    22   1     0.02  -0.01  -0.02     0.00  -0.00   0.00     0.43  -0.20   0.27
    23   1    -0.49  -0.04   0.14    -0.25  -0.01   0.11    -0.00   0.00   0.00
    24   1     0.33  -0.00  -0.17     0.39   0.01  -0.16     0.00   0.00   0.00
    25   1     0.05  -0.02   0.09    -0.07   0.03  -0.16     0.00  -0.00  -0.00
    26   1     0.03   0.08   0.06    -0.04  -0.13  -0.10    -0.00  -0.00   0.00
    27   1    -0.07  -0.04  -0.10     0.13   0.08   0.18     0.00  -0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3026.2509              3029.6333              3052.0825
 Red. masses --      1.0367                 1.0378                 1.0596
 Frc consts  --      5.5939                 5.6124                 5.8155
 IR Inten    --     29.6108                 2.9150                50.3229
 RamAct Fr= 1--    271.1570               211.5718               123.3862
  Dep-P Fr= 1--      0.0283                 0.0130                 0.1252
  Dep-U Fr= 1--      0.0550                 0.0256                 0.2226
 Alpha2 Fr= 1--      5.6391                 4.5612                 2.0298
 Beta2  Fr= 1--      2.4856                 0.9025                 4.5776
 AlphaG Fr= 1--     -1.5192                 0.3308                -0.0580
 Gamma2 Fr= 1--      3.5101                 0.3083                -2.0268
 Delta2 Fr= 1--     -1.3316                -1.6320                -3.6029
 Raman1 Fr= 1--    1084.628                846.287                493.545
 ROA1   Fr= 1--     294.357                -22.631               -309.870
 CID1   Fr= 1--       0.271                 -0.027                 -0.628
 Raman2 Fr= 1--      29.827                 10.830                 54.931
 ROA2   Fr= 1--      94.895                 20.454                -19.820
 CID2   Fr= 1--       3.181                  1.889                 -0.361
 Raman3 Fr= 1--      59.655                 21.660                109.862
 ROA3   Fr= 1--     294.357                -22.631               -309.870
 CID3   Fr= 1--       4.934                 -1.045                 -2.821
 RC180  Fr= 1--      -0.890                 -0.949                 -0.555
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.04  -0.02     0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.01  -0.02
     4   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     7   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     8   6    -0.01   0.01   0.01     0.00  -0.00   0.00     0.00   0.00   0.00
     9   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.04  -0.01  -0.05
    10   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01   0.00
    11   6    -0.00  -0.00   0.00    -0.02  -0.02  -0.04    -0.00  -0.00   0.00
    12   1    -0.07  -0.01   0.00    -0.00  -0.00   0.00     0.67   0.09  -0.01
    13   1     0.03  -0.01  -0.06     0.00  -0.00  -0.00    -0.26   0.08   0.62
    14   1     0.00   0.01   0.06     0.00  -0.00  -0.00     0.01   0.06   0.26
    15   1     0.01  -0.01  -0.00     0.00  -0.00  -0.00     0.05  -0.08  -0.04
    16   1    -0.01  -0.00   0.01    -0.00  -0.00   0.00    -0.01  -0.00   0.01
    17   1    -0.24   0.14   0.25    -0.00   0.00   0.00    -0.01   0.00   0.01
    18   1     0.46  -0.22   0.28     0.00  -0.00   0.00     0.03  -0.02   0.02
    19   1    -0.25  -0.41  -0.28    -0.00  -0.00  -0.00    -0.02  -0.03  -0.02
    20   1     0.07   0.17  -0.15     0.00   0.00  -0.00     0.01   0.02  -0.02
    21   1    -0.11  -0.19  -0.14    -0.00  -0.00  -0.00    -0.02  -0.03  -0.02
    22   1     0.21  -0.09   0.13     0.00  -0.00  -0.00     0.00  -0.00   0.00
    23   1     0.00  -0.00  -0.01     0.00   0.00   0.00     0.00  -0.01  -0.03
    24   1     0.00   0.00  -0.00    -0.00  -0.01  -0.02     0.00  -0.00  -0.01
    25   1    -0.00   0.00   0.00    -0.10   0.62   0.21    -0.00   0.00   0.00
    26   1    -0.00   0.00  -0.00     0.08  -0.39   0.52    -0.00   0.00  -0.00
    27   1     0.00  -0.00  -0.00     0.30  -0.02  -0.22     0.00  -0.00  -0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3055.7039              3069.7934              3077.9218
 Red. masses --      1.0813                 1.0623                 1.1017
 Frc consts  --      5.9484                 5.8980                 6.1493
 IR Inten    --     14.0343                27.1131                 1.9370
 RamAct Fr= 1--     80.9760               234.6910                12.3851
  Dep-P Fr= 1--      0.2625                 0.0282                 0.6358
  Dep-U Fr= 1--      0.4158                 0.0548                 0.7774
 Alpha2 Fr= 1--      0.9266                 4.8821                 0.0256
 Beta2  Fr= 1--      5.6116                 2.1420                 1.6046
 AlphaG Fr= 1--     -0.4802                 1.2273                 0.0690
 Gamma2 Fr= 1--      9.2906                -6.3014                 4.1247
 Delta2 Fr= 1--     -2.5508                -8.1229                 0.9229
 Raman1 Fr= 1--     323.904                938.764                 49.541
 ROA1   Fr= 1--     810.269               -864.865                425.506
 CID1   Fr= 1--       2.502                 -0.921                  8.589
 Raman2 Fr= 1--      67.339                 25.704                 19.255
 ROA2   Fr= 1--     243.380                -86.250                 91.610
 CID2   Fr= 1--       3.614                 -3.355                  4.758
 Raman3 Fr= 1--     134.678                 51.409                 38.511
 ROA3   Fr= 1--     810.269               -864.865                425.506
 CID3   Fr= 1--       6.016                -16.823                 11.049
 RC180  Fr= 1--      -0.168                 -0.890                  0.555
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.06  -0.02  -0.04
     2   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.02  -0.07     0.00   0.01   0.02     0.00   0.00   0.00
     4   6    -0.00   0.00   0.01     0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     8   6     0.01  -0.00   0.00    -0.00   0.01  -0.01     0.04   0.01   0.04
     9   6     0.01   0.00   0.01     0.00  -0.00  -0.01    -0.00   0.00   0.00
    10   6    -0.00  -0.02   0.01     0.00  -0.06   0.02     0.00  -0.00  -0.00
    11   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    12   1    -0.18  -0.03   0.00     0.05   0.00  -0.00     0.04   0.01   0.00
    13   1     0.06  -0.02  -0.13    -0.06   0.02   0.16     0.01  -0.00  -0.03
    14   1     0.06   0.20   0.88    -0.02  -0.06  -0.26    -0.00  -0.01  -0.05
    15   1    -0.10   0.14   0.07    -0.37   0.51   0.24    -0.03   0.04   0.02
    16   1     0.15   0.07  -0.20     0.37   0.18  -0.50     0.01   0.00  -0.01
    17   1     0.02  -0.01  -0.02    -0.01   0.01   0.01     0.01  -0.02  -0.04
    18   1    -0.02   0.01  -0.01     0.00  -0.00   0.00     0.44  -0.22   0.26
    19   1     0.02   0.03   0.02    -0.01  -0.02  -0.02     0.24   0.42   0.28
    20   1    -0.01  -0.01   0.01    -0.02  -0.05   0.04     0.02   0.01  -0.00
    21   1     0.00   0.00   0.00    -0.01  -0.02  -0.02    -0.17  -0.32  -0.22
    22   1    -0.06   0.03  -0.04     0.08  -0.04   0.05    -0.34   0.16  -0.20
    23   1     0.00  -0.02  -0.07    -0.00   0.00   0.00    -0.00   0.00   0.01
    24   1     0.00  -0.01  -0.02    -0.00   0.00   0.01    -0.00   0.00   0.00
    25   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.00
    26   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
    27   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3081.4371              3083.7010              3088.4286
 Red. masses --      1.0984                 1.1010                 1.1009
 Frc consts  --      6.1451                 6.1683                 6.1871
 IR Inten    --      8.9948                52.1863                32.8646
 RamAct Fr= 1--     61.8928               154.3457                61.5455
  Dep-P Fr= 1--      0.7486                 0.7304                 0.7315
  Dep-U Fr= 1--      0.8562                 0.8442                 0.8450
 Alpha2 Fr= 1--      0.0015                 0.0518                 0.0194
 Beta2  Fr= 1--      8.8324                21.7165                 8.6673
 AlphaG Fr= 1--     -0.0346                 0.1516                -0.0670
 Gamma2 Fr= 1--     -1.5094                -3.8705                 5.9717
 Delta2 Fr= 1--      0.7500                11.1518                -3.2477
 Raman1 Fr= 1--     247.571                617.383                246.182
 ROA1   Fr= 1--    -120.906                -14.711                469.356
 CID1   Fr= 1--      -0.488                 -0.024                  1.907
 Raman2 Fr= 1--     105.989                260.598                104.007
 ROA2   Fr= 1--     -42.226               -182.107                169.302
 CID2   Fr= 1--      -0.398                 -0.699                  1.628
 Raman3 Fr= 1--     211.977                521.195                208.014
 ROA3   Fr= 1--    -120.906                -14.711                469.356
 CID3   Fr= 1--      -0.570                 -0.028                  2.256
 RC180  Fr= 1--       0.712                  0.688                  0.690
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.04  -0.01  -0.03    -0.00   0.00   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     8   6     0.00   0.00   0.00    -0.05  -0.02  -0.05    -0.01  -0.08   0.04
     9   6    -0.00  -0.00   0.00     0.01   0.00  -0.00     0.01   0.00  -0.01
    10   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.01  -0.00
    11   6     0.02  -0.09   0.03     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   1     0.00   0.00  -0.00    -0.04  -0.00   0.00    -0.06  -0.01  -0.00
    13   1     0.00  -0.00  -0.00    -0.02   0.01   0.05    -0.03   0.01   0.07
    14   1    -0.00  -0.00  -0.00     0.00   0.01   0.04    -0.00  -0.01  -0.04
    15   1    -0.00   0.00   0.00     0.02  -0.03  -0.01    -0.06   0.08   0.04
    16   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.01   0.00  -0.02
    17   1    -0.00   0.00   0.00     0.02  -0.02  -0.03     0.04  -0.02  -0.04
    18   1    -0.00   0.00  -0.00     0.34  -0.17   0.21     0.00  -0.00   0.00
    19   1     0.00   0.00   0.00     0.19   0.32   0.21    -0.01  -0.01  -0.01
    20   1    -0.00  -0.00   0.00    -0.02  -0.02   0.00     0.26   0.60  -0.54
    21   1    -0.01  -0.01  -0.01     0.22   0.41   0.29     0.16   0.26   0.21
    22   1    -0.01   0.00  -0.00     0.44  -0.21   0.26    -0.28   0.11  -0.16
    23   1     0.00  -0.00   0.00    -0.00  -0.00  -0.01    -0.00   0.00   0.01
    24   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    25   1    -0.10   0.65   0.25    -0.00   0.01   0.00    -0.00   0.00   0.00
    26   1    -0.08   0.40  -0.58    -0.00   0.01  -0.01    -0.00   0.00  -0.00
    27   1     0.00  -0.02   0.01     0.00  -0.00  -0.00    -0.00  -0.00   0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3092.9883              3102.3552              3117.8925
 Red. masses --      1.1084                 1.0997                 1.1078
 Frc consts  --      6.2473                 6.2359                 6.3448
 IR Inten    --     16.8636                24.8932                39.5229
 RamAct Fr= 1--     76.2707                54.0984               101.3128
  Dep-P Fr= 1--      0.6471                 0.7451                 0.6536
  Dep-U Fr= 1--      0.7857                 0.8540                 0.7905
 Alpha2 Fr= 1--      0.1412                 0.0045                 0.1749
 Beta2  Fr= 1--      9.9878                 7.6997                13.3487
 AlphaG Fr= 1--     -0.1044                -0.0112                 0.1418
 Gamma2 Fr= 1--    -28.2807                 6.4386                27.7457
 Delta2 Fr= 1--    -15.5933                -2.8106                19.5140
 Raman1 Fr= 1--     305.083                216.393                405.251
 ROA1   Fr= 1--   -3213.933                528.164               3288.037
 CID1   Fr= 1--     -10.535                  2.441                  8.114
 Raman2 Fr= 1--     119.854                 92.396                160.185
 ROA2   Fr= 1--    -553.991                177.011                509.785
 CID2   Fr= 1--      -4.622                  1.916                  3.182
 Raman3 Fr= 1--     239.708                184.792                320.370
 ROA3   Fr= 1--   -3213.933                528.164               3288.037
 CID3   Fr= 1--     -13.408                  2.858                 10.263
 RC180  Fr= 1--       0.571                  0.708                  0.581
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.01     0.05  -0.05  -0.05     0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.01
     4   6    -0.00   0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.01
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6    -0.01  -0.01  -0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
     9   6    -0.07  -0.00   0.05     0.01   0.00  -0.01     0.03  -0.00  -0.02
    10   6     0.02  -0.02  -0.02    -0.01   0.00   0.01     0.06  -0.02  -0.06
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    12   1     0.65   0.09   0.01    -0.09  -0.01  -0.00    -0.24  -0.03  -0.01
    13   1     0.22  -0.08  -0.57    -0.03   0.01   0.09    -0.10   0.04   0.27
    14   1     0.00   0.01   0.04    -0.00  -0.00  -0.01     0.01   0.01   0.06
    15   1    -0.17   0.25   0.11     0.04  -0.07  -0.03    -0.32   0.47   0.20
    16   1    -0.12  -0.06   0.16     0.04   0.02  -0.05    -0.38  -0.20   0.52
    17   1    -0.09   0.05   0.10    -0.57   0.31   0.60    -0.03   0.01   0.03
    18   1    -0.03   0.02  -0.02    -0.19   0.09  -0.14    -0.01   0.00  -0.01
    19   1     0.03   0.04   0.02     0.16   0.23   0.15     0.01   0.01   0.01
    20   1     0.02   0.04  -0.04     0.01   0.03  -0.03    -0.02  -0.05   0.05
    21   1     0.04   0.07   0.05     0.01   0.01   0.01    -0.01  -0.02  -0.02
    22   1     0.04  -0.02   0.02    -0.03   0.01  -0.01     0.01  -0.00   0.01
    23   1     0.00  -0.00  -0.01     0.01  -0.03  -0.10     0.00  -0.04  -0.11
    24   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    25   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    26   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    27   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3138.0357              3145.2780              3150.3690
 Red. masses --      1.0887                 1.1005                 1.0884
 Frc consts  --      6.3165                 6.4143                 6.3643
 IR Inten    --      1.7773                11.5884                16.1236
 RamAct Fr= 1--     55.6943                98.5499                38.5164
  Dep-P Fr= 1--      0.2259                 0.5041                 0.4184
  Dep-U Fr= 1--      0.3685                 0.6703                 0.5900
 Alpha2 Fr= 1--      0.7055                 0.4773                 0.2668
 Beta2  Fr= 1--      3.4209                11.0103                 3.7872
 AlphaG Fr= 1--     -0.2001                -0.1665                 0.2273
 Gamma2 Fr= 1--      1.4647                -0.3594                -0.4869
 Delta2 Fr= 1--      0.9855                 0.1549                -1.0742
 Raman1 Fr= 1--     222.777                394.200                154.066
 ROA1   Fr= 1--     172.146                -29.549                -81.116
 CID1   Fr= 1--       0.773                 -0.075                 -0.527
 Raman2 Fr= 1--      41.051                132.124                 45.446
 ROA2   Fr= 1--      27.268                 -9.866                 -3.092
 CID2   Fr= 1--       0.664                 -0.075                 -0.068
 Raman3 Fr= 1--      82.102                264.248                 90.892
 ROA3   Fr= 1--     172.146                -29.549                -81.116
 CID3   Fr= 1--       2.097                 -0.112                 -0.892
 RC180  Fr= 1--      -0.263                  0.341                  0.180
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.02  -0.08     0.00  -0.00  -0.00     0.00  -0.01  -0.02
     5   6     0.00   0.01   0.02    -0.00  -0.00  -0.01    -0.00  -0.02  -0.08
     6   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   8     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     8   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    10   6     0.01  -0.00  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00   0.00    -0.06   0.01   0.06     0.01  -0.00  -0.01
    12   1    -0.02  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.00   0.00
    13   1    -0.02   0.01   0.05    -0.00   0.00   0.00    -0.01   0.00   0.01
    14   1     0.00   0.02   0.07    -0.00   0.00   0.01    -0.00   0.01   0.05
    15   1    -0.04   0.06   0.02    -0.00   0.00   0.00    -0.01   0.01   0.00
    16   1    -0.03  -0.02   0.04    -0.00  -0.00   0.00    -0.01  -0.00   0.01
    17   1    -0.06   0.03   0.07    -0.00   0.00   0.00    -0.02   0.01   0.02
    18   1    -0.01   0.01  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   1     0.01   0.02   0.01     0.00   0.00   0.00     0.00   0.01   0.00
    20   1    -0.00  -0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    21   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    22   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    23   1    -0.05   0.28   0.90    -0.00   0.01   0.04    -0.01   0.08   0.25
    24   1     0.00  -0.08  -0.26     0.00   0.05   0.15     0.00   0.28   0.90
    25   1     0.00  -0.00  -0.00     0.03  -0.23  -0.07    -0.01   0.05   0.02
    26   1    -0.00   0.00  -0.00    -0.04   0.15  -0.19     0.01  -0.03   0.04
    27   1    -0.00  -0.00   0.00     0.75  -0.03  -0.52    -0.12   0.01   0.08

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   799.028963580.371193676.58511
           X            0.99991   0.00265   0.01295
           Y           -0.00263   1.00000  -0.00120
           Z           -0.01295   0.00117   0.99992
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10840     0.02419     0.02356
 Rotational constants (GHZ):           2.25867     0.50407     0.49087
 Zero-point vibrational energy     621656.6 (Joules/Mol)
                                  148.57950 (Kcal/Mol)
 Warning -- explicit consideration of  18 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     52.79    93.25   105.95   166.49   202.40
          (Kelvin)            218.39   314.08   352.06   376.30   392.49
                              480.36   516.50   522.32   597.19   633.58
                              700.75   846.08   889.94   902.89  1050.51
                             1188.19  1238.05  1259.88  1287.54  1335.89
                             1363.13  1375.21  1381.93  1412.24  1433.68
                             1475.97  1492.67  1508.88  1518.06  1659.86
                             1701.56  1731.66  1748.62  1774.55  1790.38
                             1815.67  1837.65  1858.09  1881.00  1926.62
                             1982.60  2003.46  2022.79  2047.94  2107.63
                             2121.25  2133.95  2137.54  2147.45  2160.81
                             2165.99  2171.47  2408.74  2534.99  4345.89
                             4354.10  4358.97  4391.27  4396.48  4416.75
                             4428.44  4433.50  4436.76  4443.56  4450.12
                             4463.60  4485.95  4514.93  4525.35  4532.68
 
 Zero-point correction=                           0.236777 (Hartree/Particle)
 Thermal correction to Energy=                    0.249324
 Thermal correction to Enthalpy=                  0.250268
 Thermal correction to Gibbs Free Energy=         0.197657
 Sum of electronic and zero-point Energies=           -465.873494
 Sum of electronic and thermal Energies=              -465.860947
 Sum of electronic and thermal Enthalpies=            -465.860003
 Sum of electronic and thermal Free Energies=         -465.912614
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  156.453             46.447            110.730
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             30.732
 Vibrational            154.676             40.486             39.030
 Vibration     1          0.594              1.982              5.430
 Vibration     2          0.597              1.971              4.305
 Vibration     3          0.599              1.966              4.054
 Vibration     4          0.608              1.936              3.171
 Vibration     5          0.615              1.913              2.795
 Vibration     6          0.619              1.901              2.650
 Vibration     7          0.646              1.813              1.973
 Vibration     8          0.660              1.772              1.768
 Vibration     9          0.669              1.743              1.651
 Vibration    10          0.676              1.723              1.578
 Vibration    11          0.715              1.608              1.241
 Vibration    12          0.734              1.557              1.126
 Vibration    13          0.737              1.548              1.109
 Vibration    14          0.778              1.438              0.909
 Vibration    15          0.800              1.382              0.825
 Vibration    16          0.843              1.279              0.691
 Vibration    17          0.945              1.057              0.471
 Vibration    18          0.978              0.993              0.419
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.121392D-90        -90.915808       -209.341385
 Total V=0       0.985665D+18         17.993730         41.432093
 Vib (Bot)       0.141790-104       -104.848355       -241.422260
 Vib (Bot)    1  0.564095D+01          0.751352          1.730052
 Vib (Bot)    2  0.318447D+01          0.503037          1.158284
 Vib (Bot)    3  0.279924D+01          0.447041          1.029349
 Vib (Bot)    4  0.176774D+01          0.247419          0.569704
 Vib (Bot)    5  0.144517D+01          0.159920          0.368229
 Vib (Bot)    6  0.133516D+01          0.125532          0.289048
 Vib (Bot)    7  0.906783D+00         -0.042497         -0.097852
 Vib (Bot)    8  0.799603D+00         -0.097126         -0.223640
 Vib (Bot)    9  0.742082D+00         -0.129548         -0.298296
 Vib (Bot)   10  0.707439D+00         -0.150311         -0.346103
 Vib (Bot)   11  0.558311D+00         -0.253124         -0.582840
 Vib (Bot)   12  0.510920D+00         -0.291647         -0.671543
 Vib (Bot)   13  0.503874D+00         -0.297678         -0.685429
 Vib (Bot)   14  0.424627D+00         -0.371992         -0.856544
 Vib (Bot)   15  0.392455D+00         -0.406210         -0.935333
 Vib (Bot)   16  0.341310D+00         -0.466851         -1.074964
 Vib (Bot)   17  0.257035D+00         -0.590007         -1.358541
 Vib (Bot)   18  0.236792D+00         -0.625634         -1.440575
 Vib (V=0)       0.115128D+05          4.061182          9.351218
 Vib (V=0)    1  0.616306D+01          0.789797          1.818574
 Vib (V=0)    2  0.372348D+01          0.570949          1.314659
 Vib (V=0)    3  0.334355D+01          0.524207          1.207032
 Vib (V=0)    4  0.233710D+01          0.368676          0.848909
 Vib (V=0)    5  0.202922D+01          0.307330          0.707654
 Vib (V=0)    6  0.192571D+01          0.284590          0.655294
 Vib (V=0)    7  0.153550D+01          0.186249          0.428854
 Vib (V=0)    8  0.144306D+01          0.159285          0.366767
 Vib (V=0)    9  0.139481D+01          0.144515          0.332758
 Vib (V=0)   10  0.136630D+01          0.135545          0.312104
 Vib (V=0)   11  0.124947D+01          0.096727          0.222722
 Vib (V=0)   12  0.121487D+01          0.084530          0.194637
 Vib (V=0)   13  0.120985D+01          0.082732          0.190497
 Vib (V=0)   14  0.115598D+01          0.062950          0.144947
 Vib (V=0)   15  0.113563D+01          0.055236          0.127185
 Vib (V=0)   16  0.110539D+01          0.043514          0.100195
 Vib (V=0)   17  0.106220D+01          0.026206          0.060341
 Vib (V=0)   18  0.105324D+01          0.022526          0.051867
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.116095D+07          6.064813         13.964748
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000004807    0.000003208    0.000001796
      2        6           0.000012206    0.000002675   -0.000008426
      3        6          -0.000016537   -0.000001790    0.000008671
      4        6          -0.000000905    0.000000232   -0.000001319
      5        6          -0.000010355    0.000001729   -0.000002632
      6        6           0.000007774    0.000005198    0.000002837
      7        8           0.000001680   -0.000000345   -0.000003986
      8        6           0.000001780   -0.000002563   -0.000006244
      9        6          -0.000011527    0.000004764   -0.000000858
     10        6           0.000015185   -0.000007969    0.000002242
     11        6           0.000003111   -0.000004414   -0.000012246
     12        1          -0.000003612   -0.000001260   -0.000001459
     13        1          -0.000003177   -0.000001901    0.000000431
     14        1           0.000005451   -0.000000307    0.000002442
     15        1          -0.000000249   -0.000004247    0.000001284
     16        1           0.000000007    0.000000079   -0.000001757
     17        1           0.000000653   -0.000001257   -0.000001023
     18        1          -0.000000564    0.000001054    0.000000739
     19        1           0.000002772    0.000003426    0.000002259
     20        1          -0.000000546    0.000000310    0.000004049
     21        1          -0.000000536    0.000002522    0.000005005
     22        1          -0.000001380   -0.000000622    0.000001115
     23        1           0.000004011   -0.000002699   -0.000001481
     24        1          -0.000000966   -0.000000967    0.000002267
     25        1          -0.000000327    0.000003181    0.000003577
     26        1           0.000000452    0.000001123    0.000004088
     27        1           0.000000404    0.000000841   -0.000001372
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000016537 RMS     0.000004688
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.172431D+03  0.522766D+01  0.329550D+01
      2   0.522766D+01  0.111274D+03  0.296020D+01
      3   0.329550D+01  0.296020D+01  0.114997D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.708977D+01 -0.898739D+01  0.536536D+01
      2   0.310442D+02 -0.893965D+01  0.625076D+01
      3   0.236611D+02 -0.417910D+02  0.141255D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.678136D+02 -0.264645D+02 -0.109366D+01
      2   0.624127D+02  0.399834D+01  0.897050D+01
      3   0.540084D+01  0.224661D+02 -0.787684D+01
      4  -0.387350D+02  0.979913D+02 -0.271760D+02
      5  -0.324416D+02 -0.293877D+02  0.951499D+01
      6  -0.130224D+02 -0.201524D+02 -0.116107D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.286533D+01  0.238801D+01 -0.412445D+01  0.169011D+01  0.326794D+00
      2   0.238801D+01  0.205402D+00  0.399198D+01  0.326794D+00  0.291183D+01
      3  -0.412445D+01  0.399198D+01  0.633550D-01  0.402710D+01  0.184510D+01
                 6             7             8             9            10 
      1   0.402710D+01 -0.427038D+01  0.395228D+01  0.340318D+00  0.204247D+02
      2   0.184510D+01  0.395228D+01  0.232503D+01 -0.300226D-01 -0.379071D+01
      3  -0.783508D+00  0.340318D+00 -0.300226D-01 -0.186901D+01  0.433312D+01
                11            12            13            14            15 
      1  -0.379071D+01  0.433312D+01 -0.823596D+01  0.216593D+01 -0.437784D+01
      2   0.609228D+00 -0.372063D+01  0.216593D+01 -0.454515D+01 -0.292504D+01
      3  -0.372063D+01 -0.688071D+00 -0.437784D+01 -0.292504D+01 -0.305000D+00
                16            17            18            19            20 
      1   0.161785D+02 -0.486203D+01  0.230180D+00 -0.430702D+02 -0.592918D+00
      2  -0.486203D+01 -0.265053D+01 -0.137801D+00 -0.592918D+00 -0.468842D+01
      3   0.230180D+00 -0.137801D+00  0.866432D+00 -0.243132D+01  0.109827D+01
                21            22            23            24            25 
      1  -0.243132D+01  0.485891D+01 -0.947788D+01  0.221055D+01 -0.604021D+01
      2   0.109827D+01 -0.947788D+01 -0.131159D+01 -0.907538D+00  0.204876D+01
      3  -0.387270D-01  0.221055D+01 -0.907538D+00  0.238178D+01  0.210975D+00
                26            27            28            29            30 
      1   0.204876D+01  0.210975D+00  0.633935D+02  0.392011D+01  0.117844D+01
      2  -0.150009D+01  0.230076D+01  0.392011D+01  0.380233D+01 -0.741557D+00
      3   0.230076D+01  0.477771D+01  0.117844D+01 -0.741557D+00  0.153606D+01
                31            32            33            34            35 
      1   0.110147D+02  0.675611D+01 -0.172936D+01  0.910293D+01 -0.679444D+00
      2   0.675611D+01  0.307738D+01 -0.281146D+00 -0.679444D+00  0.128635D+01
      3  -0.172936D+01 -0.281146D+00 -0.116550D+01  0.167332D+01 -0.167955D+01
                36            37            38            39            40 
      1   0.167332D+01 -0.581327D+02 -0.349287D+01  0.254732D+01 -0.122630D+02
      2  -0.167955D+01 -0.349287D+01 -0.233331D+01  0.100074D+01 -0.505445D+01
      3  -0.327721D+01  0.254732D+01  0.100074D+01 -0.107516D+01  0.136696D+01
                41            42            43            44            45 
      1  -0.505445D+01  0.136696D+01 -0.118016D+02 -0.424997D+00 -0.382019D+01
      2  -0.240407D+01 -0.641699D+00 -0.424997D+00 -0.210132D+01  0.183106D+01
      3  -0.641699D+00  0.183907D+01 -0.382019D+01  0.183106D+01  0.263838D+01
                46            47            48            49            50 
      1   0.193847D+02  0.126668D+01 -0.307589D+01 -0.382210D+01 -0.558604D+00
      2   0.126668D+01 -0.109968D+01  0.963385D-01 -0.558604D+00 -0.562671D+00
      3  -0.307589D+01  0.963385D-01 -0.840322D+00  0.262409D+01 -0.869811D+00
                51            52            53            54            55 
      1   0.262409D+01 -0.229672D+02  0.769296D+00  0.816615D+01 -0.464504D+01
      2  -0.869811D+00  0.769296D+00  0.700333D+00 -0.840404D+00  0.629358D+00
      3  -0.139549D+01  0.816615D+01 -0.840404D+00 -0.549619D+01  0.271292D+01
                56            57            58            59            60 
      1   0.629358D+00  0.271292D+01  0.705261D+01 -0.165801D+01 -0.256388D+01
      2  -0.236708D+00 -0.445094D+00 -0.165801D+01  0.172182D+01  0.293641D+01
      3  -0.445094D+00 -0.990669D+00 -0.256388D+01  0.293641D+01  0.148413D+01
                61            62            63            64            65 
      1   0.231932D+02 -0.301720D+00 -0.930653D+01 -0.711377D+01  0.223744D+01
      2  -0.301720D+00  0.113037D+01  0.123970D+01  0.223744D+01 -0.231514D-01
      3  -0.930653D+01  0.123970D+01  0.107376D+02 -0.293171D+01  0.413392D+01
                66            67            68            69            70 
      1  -0.293171D+01  0.248663D+01 -0.111989D+01  0.408517D+01 -0.722635D+01
      2   0.413392D+01 -0.111989D+01  0.199033D+01  0.369798D+01  0.425783D+01
      3   0.105876D+01  0.408517D+01  0.369798D+01 -0.898604D+00 -0.153977D+00
                71            72            73            74            75 
      1   0.425783D+01 -0.153977D+00 -0.697658D+01 -0.169444D+01 -0.151940D+01
      2   0.329104D+01 -0.217154D+00 -0.169444D+01  0.208942D+01 -0.422445D+00
      3  -0.217154D+00  0.149542D+01 -0.151940D+01 -0.422445D+00  0.285264D+01
                76            77            78            79            80 
      1  -0.175679D+01  0.281592D+01 -0.719032D+00  0.484114D+00 -0.227595D+00
      2   0.281592D+01  0.526840D+01  0.332270D+01 -0.227595D+00  0.308633D+01
      3  -0.719032D+00  0.332270D+01 -0.958307D+00  0.251516D+01 -0.174553D+01
                81            82            83            84            85 
      1   0.251516D+01  0.684189D+01  0.259524D+01  0.869472D+00  0.564018D+01
      2  -0.174553D+01  0.259524D+01  0.429834D+01  0.327481D+01  0.601375D+01
      3  -0.358878D+01  0.869472D+00  0.327481D+01 -0.297566D+01  0.246510D+01
                86            87            88            89            90 
      1   0.601375D+01  0.246510D+01  0.775421D+01  0.560109D+01 -0.356117D+01
      2  -0.195494D+01 -0.134468D+00  0.560109D+01 -0.194575D+00 -0.395293D+00
      3  -0.134468D+00  0.658621D-01 -0.356117D+01 -0.395293D+00  0.794959D+00
                91            92            93            94            95 
      1   0.103181D+01 -0.148990D+01 -0.474410D+01 -0.280277D+01  0.409550D+00
      2  -0.148990D+01 -0.936604D+00 -0.118176D+01  0.409550D+00  0.416316D+01
      3  -0.474410D+01 -0.118176D+01  0.127796D+01 -0.110870D+01  0.372528D+01
                96            97            98            99           100 
      1  -0.110870D+01 -0.812702D+01 -0.127924D+01  0.330197D+01  0.118760D+02
      2   0.372528D+01 -0.127924D+01  0.308219D+01 -0.115128D+01  0.240534D+01
      3  -0.162848D+01  0.330197D+01 -0.115128D+01  0.389097D+01  0.244466D+01
               101           102           103           104           105 
      1   0.240534D+01  0.244466D+01  0.105324D+01  0.150118D+01  0.273954D+00
      2   0.184820D+01  0.592784D+00  0.150118D+01  0.603770D+00  0.189782D+00
      3   0.592784D+00  0.141143D+01  0.273954D+00  0.189782D+00  0.283043D+00
               106           107           108           109           110 
      1   0.457956D+00  0.200880D+00  0.121461D+01 -0.274229D+00  0.419730D+00
      2   0.200880D+00 -0.220286D+00  0.553234D+00  0.419730D+00 -0.894204D+00
      3   0.121461D+01  0.553234D+00  0.111170D+01  0.103611D+01 -0.287161D+00
               111           112           113           114           115 
      1   0.103611D+01  0.142483D+00 -0.168062D+00  0.530528D-01  0.908481D+00
      2  -0.287161D+00 -0.168062D+00  0.442665D+00  0.874043D+00  0.626709D-01
      3  -0.199565D+01  0.530528D-01  0.874043D+00  0.996692D+00 -0.550373D-02
               116           117           118           119           120 
      1   0.626709D-01 -0.550373D-02 -0.452494D+00 -0.425109D+00 -0.900755D+00
      2   0.163752D+01  0.173507D+01 -0.425109D+00  0.305238D+00 -0.112907D+00
      3   0.173507D+01  0.825342D+01 -0.900755D+00 -0.112907D+00 -0.373016D+00
               121           122           123           124           125 
      1  -0.174402D+01  0.389674D+00 -0.573141D-01 -0.105894D+01  0.318951D-01
      2   0.389674D+00 -0.523803D+00 -0.111083D+01  0.318951D-01 -0.111783D+01
      3  -0.573141D-01 -0.111083D+01 -0.136571D+01  0.644658D-01 -0.831993D+00
               126           127           128           129           130 
      1   0.644658D-01 -0.193672D+01  0.173592D+01  0.547777D-01  0.227287D+00
      2  -0.831993D+00  0.173592D+01 -0.409723D+01 -0.592164D+00 -0.184828D+01
      3  -0.761423D+01  0.547777D-01 -0.592164D+00 -0.314469D+00 -0.410684D+00
               131           132           133           134           135 
      1  -0.184828D+01 -0.410684D+00  0.217667D+00 -0.771498D+00  0.158083D+00
      2   0.850662D+01  0.773849D+00 -0.771498D+00  0.230476D+01  0.141891D+01
      3   0.773849D+00  0.937347D+00  0.158083D+00  0.141891D+01  0.571070D+00
               136           137           138           139           140 
      1   0.298760D+01  0.166758D+01 -0.193792D+01 -0.623203D-01  0.117389D+01
      2   0.166758D+01  0.164962D+01 -0.150632D+01  0.117389D+01  0.274976D+01
      3  -0.193792D+01 -0.150632D+01  0.233654D+01 -0.114564D+01 -0.167659D+01
               141           142           143           144           145 
      1  -0.114564D+01 -0.442807D+01 -0.255677D+01  0.284168D+01 -0.335428D+01
      2  -0.167659D+01 -0.255677D+01 -0.296428D+01  0.260533D+01  0.472567D+00
      3   0.143162D+01  0.284168D+01  0.260533D+01 -0.446823D+01  0.196018D+01
               146           147           148           149           150 
      1   0.472567D+00  0.196018D+01  0.154386D+01 -0.978253D+00 -0.563477D+00
      2  -0.111228D+01 -0.191965D+00 -0.978253D+00  0.645717D+00  0.240507D+00
      3  -0.191965D+00 -0.240662D+01 -0.563477D+00  0.240507D+00  0.128738D+01
               151           152           153           154           155 
      1   0.171747D+01 -0.444684D+00 -0.205012D+01  0.573457D+01 -0.291434D+01
      2  -0.444684D+00  0.719200D+00  0.556291D-01 -0.291434D+01  0.295088D+01
      3  -0.205012D+01  0.556291D-01  0.441288D+01  0.311475D+01 -0.224587D+01
               156           157           158           159           160 
      1   0.311475D+01 -0.167275D+01  0.195120D+01 -0.143910D+01  0.209023D+01
      2  -0.224587D+01  0.195120D+01 -0.293852D+01  0.151786D+01 -0.168886D+01
      3   0.284143D+01 -0.143910D+01  0.151786D+01 -0.130263D+01  0.216482D+01
               161           162           163           164           165 
      1  -0.168886D+01  0.216482D+01 -0.125398D+01 -0.173660D+01  0.873722D-02
      2   0.144995D+01 -0.193786D+01 -0.173660D+01 -0.242473D+01 -0.601601D+00
      3  -0.193786D+01  0.330422D+01  0.873722D-02 -0.601601D+00 -0.667600D+00
               166           167           168           169           170 
      1  -0.140159D+01 -0.146240D+01 -0.601459D+00 -0.483485D+00 -0.867450D+00
      2  -0.146240D+01 -0.655352D+01 -0.860838D+00 -0.867450D+00 -0.286032D+01
      3  -0.601459D+00 -0.860838D+00 -0.119151D+01 -0.510015D+00 -0.109638D+01
               171           172           173           174           175 
      1  -0.510015D+00  0.277813D+01  0.792501D+00 -0.129905D+01  0.204095D+01
      2  -0.109638D+01  0.792501D+00  0.760672D+00 -0.104168D+01  0.101266D+01
      3  -0.111103D+01 -0.129905D+01 -0.104168D+01  0.133312D+01 -0.188419D+01
               176           177           178           179           180 
      1   0.101266D+01 -0.188419D+01 -0.155196D+01 -0.115696D+01  0.220005D+01
      2   0.260393D+01 -0.189302D+01 -0.115696D+01 -0.188677D+01  0.157073D+01
      3  -0.189302D+01  0.258125D+01  0.220005D+01  0.157073D+01 -0.423400D+01
               181           182           183           184           185 
      1  -0.401889D+00 -0.850829D+00 -0.225224D+00 -0.133215D+01  0.208514D+00
      2  -0.850829D+00 -0.185579D+01 -0.138120D+01  0.208514D+00 -0.540292D+01
      3  -0.225224D+00 -0.138120D+01 -0.142922D+01 -0.197883D+00 -0.306581D+01
               186           187           188           189           190 
      1  -0.197883D+00 -0.254133D+00 -0.308340D+00  0.131841D+00  0.890493D+01
      2  -0.306581D+01 -0.308340D+00 -0.283279D+01 -0.239683D+01 -0.331277D+01
      3  -0.239857D+01  0.131841D+00 -0.239683D+01 -0.331138D+01  0.125425D+01
               191           192           193           194           195 
      1  -0.331277D+01  0.125425D+01 -0.291567D+01  0.253233D+01 -0.694332D+00
      2   0.202089D+01 -0.757007D+00  0.253233D+01 -0.222202D+01  0.699313D-01
      3  -0.757007D+00  0.126445D+01 -0.694332D+00  0.699313D-01 -0.513165D+00
               196           197           198           199           200 
      1   0.493995D+01 -0.181898D+01  0.145094D+01  0.143470D+01  0.543130D+00
      2  -0.181898D+01  0.102037D+01 -0.651901D+00  0.543130D+00 -0.366130D-01
      3   0.145094D+01 -0.651901D+00  0.122976D+01  0.847525D+00 -0.470264D-02
               201           202           203           204           205 
      1   0.847525D+00  0.132163D+01 -0.925026D+00  0.270806D+00  0.184055D+01
      2  -0.470264D-02 -0.925026D+00  0.676714D+00  0.107717D+01  0.534422D+00
      3  -0.710051D-01  0.270806D+00  0.107717D+01  0.118052D+01  0.487878D+00
               206           207           208           209           210 
      1   0.534422D+00  0.487878D+00 -0.142679D+01 -0.638772D+00 -0.127432D+01
      2   0.138494D+01  0.116649D+01 -0.638772D+00 -0.669167D-01 -0.878405D-01
      3   0.116649D+01  0.461493D+01 -0.127432D+01 -0.878405D-01  0.200373D+00
               211           212           213           214           215 
      1  -0.885228D+00  0.258933D+00 -0.742009D+00 -0.182015D+01 -0.571089D+00
      2   0.258933D+00 -0.557527D+00 -0.921084D+00 -0.571089D+00 -0.123044D+01
      3  -0.742009D+00 -0.921084D+00 -0.179665D+01 -0.991268D+00 -0.163689D+01
               216           217           218           219           220 
      1  -0.991268D+00 -0.874854D+00 -0.720827D+00  0.332152D+00 -0.310801D+01
      2  -0.163689D+01 -0.720827D+00  0.577797D+00  0.382957D+00 -0.184614D+01
      3  -0.661751D+01  0.332152D+00  0.382957D+00  0.227464D+00 -0.752862D+00
               221           222           223           224           225 
      1  -0.184614D+01 -0.752862D+00 -0.961774D+00 -0.408281D+00 -0.131517D+01
      2  -0.766250D+01 -0.276635D+01 -0.408281D+00 -0.220455D+01 -0.162745D+01
      3  -0.276635D+01 -0.194683D+01 -0.131517D+01 -0.162745D+01 -0.236520D+01
               226           227           228           229           230 
      1  -0.252688D+01  0.866821D+00 -0.657371D+00  0.245226D+01 -0.116308D+01
      2   0.866821D+00 -0.279950D+00  0.543635D+00 -0.116308D+01  0.168645D+01
      3  -0.657371D+00  0.543635D+00 -0.886149D+00  0.145957D+01 -0.234441D+01
               231           232           233           234           235 
      1   0.145957D+01 -0.319519D+01  0.446688D+00 -0.319525D+01 -0.948675D+01
      2  -0.234441D+01  0.446688D+00 -0.228421D+01  0.184727D+01 -0.280335D+00
      3   0.292624D+01 -0.319525D+01  0.184727D+01 -0.647028D+01  0.242710D+01
               236           237           238           239           240 
      1  -0.280335D+00  0.242710D+01  0.477528D+00 -0.125636D+01  0.151417D+00
      2  -0.103244D+01  0.206470D+00 -0.125636D+01 -0.409334D+00  0.128031D+00
      3   0.206470D+00 -0.165124D+01  0.151417D+00  0.128031D+00  0.255015D+00
               241           242           243 
      1   0.530118D+01  0.462111D+00 -0.224323D+01
      2   0.462111D+00  0.629613D+00  0.521439D-01
      3  -0.224323D+01  0.521439D-01  0.172360D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.556429D+01  0.920719D+01  0.665249D+01  0.876311D+01  0.978310D+01
      2  -0.753569D+01  0.185122D+01  0.782052D+01  0.573805D+01  0.195413D+01
      3  -0.350746D+01 -0.900954D+01  0.173322D+01 -0.110906D+01 -0.568669D+01
                 6             7             8             9            10 
      1  -0.107658D+01  0.646763D+01  0.606523D+01 -0.517997D+01  0.650799D+01
      2  -0.665097D+01  0.334708D+01 -0.628712D+01 -0.384356D+01  0.193049D+02
      3  -0.110413D+02  0.654718D+00 -0.126086D+02 -0.973037D+00  0.100701D+02
                11            12            13            14            15 
      1  -0.603329D+01 -0.420103D+00 -0.934343D+01 -0.562102D+01 -0.601534D+01
      2  -0.944182D+01  0.266134D+01 -0.131202D+02 -0.442333D+01 -0.110439D+01
      3  -0.264908D+01  0.797241D+01  0.780105D+01  0.113649D+02  0.114027D+02
                16            17            18            19            20 
      1   0.400432D+01  0.372360D+01 -0.516477D+00 -0.446430D+00  0.418537D+01
      2   0.273626D+01  0.713286D-01  0.259429D+01 -0.306256D+02 -0.952637D+00
      3   0.103818D+02  0.121166D+02  0.577660D+00 -0.184170D+02 -0.452588D+01
                21            22            23            24            25 
      1  -0.144122D+01  0.144881D+02  0.431115D+01 -0.160099D+01 -0.503622D+01
      2   0.165363D+01  0.202299D+01 -0.708062D+01  0.410901D+01 -0.153529D+02
      3  -0.246675D+01  0.417514D+01 -0.764704D+01  0.307791D+01 -0.343453D+01
                26            27            28            29            30 
      1   0.528618D+01 -0.416056D+01 -0.557214D+01 -0.266798D+00  0.140740D+00
      2   0.234084D+01  0.213102D+01  0.397274D+02  0.492187D+01 -0.365840D+01
      3   0.265714D+00 -0.110936D+01  0.186238D+02  0.950795D+01 -0.109657D+01
                31            32            33            34            35 
      1  -0.274709D+01 -0.279595D+01 -0.284125D+01  0.155878D+01 -0.303378D+00
      2   0.121571D+02  0.346405D+01 -0.122848D+01 -0.138234D+02 -0.108973D+01
      3   0.344315D+02  0.746531D+01  0.156260D+00 -0.105500D+01 -0.426128D+00
                36            37            38            39            40 
      1   0.344580D+01  0.386805D+01  0.151042D+01 -0.819863D+00  0.764337D+01
      2   0.161026D+01 -0.464055D+02 -0.405846D+01  0.130408D+02 -0.135975D+02
      3  -0.254567D+00 -0.150737D+02 -0.124214D+02  0.162789D+01 -0.109216D+02
                41            42            43            44            45 
      1   0.920229D+00 -0.487117D+01  0.184533D+01  0.473437D+00  0.721645D+00
      2  -0.290002D+01 -0.144861D+01 -0.136843D+02 -0.371259D+01 -0.654703D+01
      3  -0.643434D+01 -0.124308D+01  0.646709D+00  0.942932D-01  0.131584D+01
                46            47            48            49            50 
      1  -0.350902D-02 -0.260193D+01  0.249536D+01  0.464686D+01 -0.359807D+01
      2   0.119898D+02  0.319170D+01 -0.415623D+01 -0.463215D+01  0.236856D+01
      3   0.241428D+00  0.131539D+02 -0.469255D+01  0.260899D+02  0.213473D+01
                51            52            53            54            55 
      1  -0.673796D+01  0.290452D+01 -0.362925D+01  0.197752D+01 -0.128632D+01
      2   0.604776D+01 -0.492281D+02 -0.258780D+00  0.271140D+02 -0.285758D+01
      3  -0.166918D+01 -0.517704D+01 -0.876784D+01 -0.125767D+01  0.880141D+00
                56            57            58            59            60 
      1   0.100897D+01 -0.624202D+00  0.409767D+00  0.267073D+01 -0.165429D+01
      2   0.107104D+01  0.717183D+01  0.797110D+01 -0.844959D+01 -0.792699D+01
      3  -0.754323D+01 -0.660959D-01 -0.701727D+01  0.554346D+01  0.778625D+01
                61            62            63            64            65 
      1  -0.173685D+01  0.862811D+01 -0.260741D+00 -0.559453D+01  0.578045D+01
      2   0.290876D+02 -0.357239D+01 -0.434746D+02 -0.163327D+02  0.164908D+02
      3   0.401724D+01  0.124194D+02  0.275113D+01 -0.130698D+01 -0.454742D+01
                66            67            68            69            70 
      1  -0.485892D+01  0.831596D+01  0.264497D+01 -0.811241D+01 -0.771217D+01
      2   0.200431D+01  0.157888D+02  0.121529D+02  0.231443D+01 -0.103880D+02
      3  -0.113344D+02  0.578829D+01 -0.675394D+01 -0.187710D+02 -0.121828D+02
                71            72            73            74            75 
      1  -0.170650D+01  0.375781D+01 -0.178591D+01  0.598387D+01 -0.518689D+01
      2   0.500711D+01  0.695912D+01  0.764311D+01  0.215231D+01  0.133925D+02
      3  -0.169831D+02  0.117437D+01 -0.205828D+01 -0.134679D+02  0.543258D+00
                76            77            78            79            80 
      1   0.265327D+01  0.145365D+01  0.486035D+01 -0.427188D+01  0.971960D+01
      2   0.318988D+00  0.621782D+01 -0.320171D+01  0.479722D+01 -0.578490D+01
      3  -0.681037D+01 -0.120573D+02 -0.125098D+02  0.227307D+01 -0.117040D+02
                81            82            83            84            85 
      1   0.200302D+01 -0.393400D+01 -0.133344D+02  0.762313D+01 -0.157020D+02
      2  -0.145976D+02  0.720017D+01  0.711639D+01 -0.298287D+01  0.861778D+01
      3   0.960713D+01  0.189354D+01 -0.753596D+01 -0.563645D+01  0.650248D+01
                86            87            88            89            90 
      1   0.956776D+00 -0.355528D+01  0.550474D+01  0.289687D+01 -0.834295D+00
      2   0.425533D+01  0.187224D+01 -0.357948D+01  0.271495D+01 -0.115799D+01
      3   0.157361D+02  0.769976D+01 -0.111379D+01  0.137703D+02 -0.905340D+01
                91            92            93            94            95 
      1  -0.703221D+00  0.223967D+01  0.125773D+01 -0.571898D+01 -0.270709D+01
      2   0.201465D+02  0.321571D+01 -0.527301D+01  0.373687D+01 -0.161720D+02
      3  -0.715191D+01 -0.109751D+02 -0.286752D+01  0.128747D+02  0.198632D+02
                96            97            98            99           100 
      1  -0.869899D+01  0.462628D+01 -0.110283D+01  0.380936D+01 -0.816767D+00
      2   0.790899D+01 -0.239638D+02  0.374909D+01 -0.140522D+02 -0.515432D+01
      3   0.215828D+02 -0.484651D+01  0.124972D+02 -0.769896D+01  0.710299D+01
               101           102           103           104           105 
      1   0.203835D+01 -0.168621D+01  0.402058D+00  0.159022D+00 -0.145398D+01
      2  -0.326904D+00  0.508138D+01 -0.627238D+00 -0.709598D+00  0.855619D+00
      3  -0.654699D+01  0.955702D+00 -0.708816D+00 -0.205655D+00  0.482915D+00
               106           107           108           109           110 
      1  -0.107819D+01  0.408193D-01 -0.761538D+00 -0.876122D+00 -0.186566D+01
      2   0.152762D+01  0.121062D+01  0.245781D+01  0.482579D+01 -0.112733D+01
      3   0.205879D+00  0.609107D+00 -0.226286D+00 -0.194246D+01  0.207845D+01
               111           112           113           114           115 
      1   0.229398D+01 -0.888805D+00 -0.847857D+00 -0.139528D+01  0.369085D+00
      2  -0.633574D+01 -0.405694D+00  0.312994D+01  0.271725D+01 -0.522266D+01
      3   0.195117D+01  0.234135D+01 -0.989135D+00 -0.207515D+01  0.166284D+01
               116           117           118           119           120 
      1   0.256811D+01 -0.798323D+01  0.125921D+01  0.471920D+00  0.218457D+00
      2   0.452975D+01  0.234847D+02 -0.247010D+01 -0.635475D+00  0.909472D-01
      3  -0.363339D+01 -0.493012D+01  0.248025D+00 -0.137840D+01 -0.457023D+00
               121           122           123           124           125 
      1   0.749702D+00  0.170361D+01  0.476482D+00 -0.887211D-01  0.481322D+01
      2  -0.162417D+01 -0.534656D+00 -0.153316D+01 -0.428683D+01 -0.543041D+00
      3   0.259647D+01  0.372775D+00  0.641606D+00 -0.414257D+00  0.211052D+00
               126           127           128           129           130 
      1   0.390943D+01 -0.680829D+00  0.316535D+01  0.218706D+01  0.170589D+01
      2  -0.710299D+01 -0.499410D+00 -0.670273D+00  0.369898D+00 -0.150749D+01
      3   0.701138D+00 -0.900698D+01  0.968710D+01  0.125259D+01  0.894623D+01
               131           132           133           134           135 
      1  -0.499847D+01 -0.529911D+01  0.378745D-01 -0.283208D+01 -0.249552D+01
      2   0.412697D+00  0.482164D+00 -0.101026D+01  0.199351D+01  0.101227D+01
      3  -0.187284D+02 -0.208682D+01  0.279402D+01 -0.588051D+01 -0.217699D+01
               136           137           138           139           140 
      1   0.371257D+01  0.205137D+01 -0.562185D+01  0.236414D+01  0.193812D+01
      2  -0.871899D+00 -0.177463D+01  0.469011D+01 -0.197998D+01 -0.240181D+01
      3   0.394871D+01 -0.193210D+01 -0.121503D+01  0.174170D+00 -0.354257D+01
               141           142           143           144           145 
      1  -0.334117D+01 -0.507442D+01 -0.143359D+01  0.986100D+01  0.610867D+01
      2   0.260491D+01  0.199154D+00  0.316913D+01 -0.652213D+01  0.111504D+02
      3   0.532665D+00 -0.397077D+01  0.138713D+01  0.993363D+00  0.632843D+01
               146           147           148           149           150 
      1  -0.421464D+01 -0.489245D+01 -0.399440D+01  0.288629D+01  0.145181D+01
      2  -0.160152D+01 -0.534960D+01 -0.460737D+01  0.213458D+01  0.262445D+01
      3  -0.565313D+00 -0.355859D+01  0.263000D+00  0.727859D+00  0.900026D+00
               151           152           153           154           155 
      1  -0.517642D+01  0.352431D+01  0.787856D+01  0.191355D+01  0.365170D+00
      2  -0.844484D+01  0.112882D+01  0.899183D+01 -0.246755D+01 -0.892809D+00
      3  -0.336484D+01  0.132463D+01  0.416034D+01 -0.479836D+01 -0.252711D+01
               156           157           158           159           160 
      1   0.314265D+01 -0.155188D+00 -0.137284D+01 -0.212981D+01  0.146129D+01
      2   0.326546D+01  0.183002D+01  0.328242D+00 -0.635827D+00 -0.174210D+01
      3  -0.737799D+00  0.227122D+01  0.270878D+01  0.300975D+00 -0.274321D+01
               161           162           163           164           165 
      1  -0.415854D-01  0.414560D+01 -0.238088D+01 -0.449739D+01 -0.348501D+01
      2  -0.853736D+00  0.383196D+01  0.196758D+01  0.159734D+01  0.183280D+00
      3   0.347334D-01 -0.300067D+00  0.788357D+01  0.651976D+01  0.133227D+01
               166           167           168           169           170 
      1  -0.341862D+01 -0.994567D+01 -0.600135D+01 -0.248049D+01 -0.403249D+01
      2   0.102733D+01  0.180856D+01  0.131074D+00 -0.125797D+01 -0.401940D-01
      3   0.790759D+01  0.140555D+02  0.270824D+01  0.377789D+01  0.677199D+01
               171           172           173           174           175 
      1  -0.470882D+01 -0.250046D+01 -0.264551D+01  0.254365D+01 -0.271896D+01
      2  -0.285958D+00 -0.120063D+01 -0.251489D+01  0.419379D+01 -0.273409D+01
      3   0.324817D+01 -0.419681D+01 -0.440365D+01  0.482847D+01 -0.341266D+01
               176           177           178           179           180 
      1  -0.748192D+01  0.391866D+01  0.367518D+01  0.648248D+01 -0.583790D+01
      2  -0.551412D+01  0.723504D+01  0.331834D+01  0.412895D+01 -0.119755D+02
      3  -0.111934D+02  0.782756D+01  0.478428D+01  0.832672D+01 -0.708877D+01
               181           182           183           184           185 
      1   0.719895D+00  0.734347D+00 -0.942283D+00 -0.654788D-01  0.283353D+01
      2  -0.265202D+01 -0.547303D+01 -0.387588D+01 -0.344624D+01 -0.106431D+02
      3   0.491812D+01  0.610432D+01  0.475643D+01  0.345714D+01  0.176063D+02
               186           187           188           189           190 
      1  -0.199119D+01  0.642927D+00  0.191574D+01 -0.268586D+01  0.502764D+01
      2  -0.841579D+01 -0.188220D+01 -0.857226D+01 -0.105614D+02  0.122744D+02
      3   0.106571D+02  0.271607D+01  0.102573D+02  0.827338D+01  0.257431D+00
               191           192           193           194           195 
      1  -0.281360D+01  0.342097D+01 -0.320967D+01  0.191330D+01 -0.190544D+01
      2  -0.594428D+01  0.858599D+01 -0.527632D+01  0.241510D+01 -0.360318D+01
      3  -0.599718D+01  0.122203D+01 -0.316359D+01  0.556213D+01  0.670306D+00
               196           197           198           199           200 
      1   0.311089D+01 -0.427407D+00  0.251988D+01  0.305254D+00 -0.564966D+00
      2   0.713897D+01 -0.341377D+01  0.649445D+01  0.477338D+00  0.200224D+00
      3   0.185438D+01 -0.234174D+01  0.554478D+00  0.996799D+00  0.785434D-01
               201           202           203           204           205 
      1   0.989994D-01 -0.487850D+01  0.518321D-02 -0.128906D+01  0.801133D+00
      2  -0.534759D+00 -0.169763D+01 -0.194869D+01 -0.102720D+00 -0.437623D+01
      3   0.485525D+00  0.145257D+01  0.445788D+00  0.907928D+00  0.192359D+01
               206           207           208           209           210 
      1   0.295212D+01 -0.357268D+01  0.162809D+01  0.542819D-01  0.882185D-01
      2   0.584701D+00 -0.291358D+01  0.138870D+01 -0.392522D+00 -0.909200D+00
      3   0.151625D+01 -0.226929D-01 -0.296161D+01 -0.826899D+00 -0.126749D+00
               211           212           213           214           215 
      1  -0.619993D+01  0.534985D+00 -0.195060D+00  0.215801D+01  0.448999D+01
      2   0.162339D+01  0.190484D+01  0.279584D+01 -0.324924D+01  0.252293D+01
      3   0.101923D+02 -0.832944D-02 -0.164949D+01 -0.317950D+01 -0.297500D+01
               216           217           218           219           220 
      1   0.454473D+00 -0.109937D+00 -0.676477D+00 -0.277740D+00  0.196483D+01
      2   0.108070D+02 -0.683611D+00 -0.197354D+01  0.617039D+00 -0.924146D+00
      3  -0.334501D+01 -0.410287D+00  0.332570D+01  0.239849D+01 -0.658403D+01
               221           222           223           224           225 
      1   0.595943D+01 -0.201712D+00  0.172036D-01  0.215324D+01 -0.186522D-01
      2   0.100105D+02  0.735989D+01  0.321209D+01  0.639976D+01  0.840165D+01
      3  -0.345128D+02 -0.132327D+02 -0.831264D+00 -0.966621D+01 -0.719187D+01
               226           227           228           229           230 
      1  -0.436399D+00  0.629358D+00 -0.793247D+00  0.237374D+01 -0.318747D+01
      2   0.397211D+00 -0.152742D+01  0.426356D+01 -0.417111D+01  0.927705D+01
      3   0.202892D+01 -0.292721D+01  0.212757D+01 -0.782716D+01  0.782713D+01
               231           232           233           234           235 
      1   0.270698D+01 -0.259642D+01  0.455541D+01 -0.480769D+01  0.164082D+01
      2  -0.122210D+02  0.897995D+01 -0.783877D+01  0.254207D+02 -0.170843D+02
      3  -0.121221D+02  0.486633D+01 -0.999798D+01  0.111456D+02  0.279182D+01
               236           237           238           239           240 
      1   0.886220D-01 -0.111346D+01  0.907862D+00  0.403356D+00 -0.538812D+00
      2  -0.102211D+01  0.114813D+02 -0.481028D+00 -0.105672D+01 -0.985793D+00
      3  -0.631128D+01 -0.413980D+00 -0.349742D+01 -0.104721D+01  0.713353D+00
               241           242           243 
      1  -0.131548D+01  0.856530D+00  0.822351D+00
      2   0.109348D+02 -0.191500D+00 -0.992424D+01
      3  -0.245202D+00  0.338214D+01  0.112616D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.734436D+01  0.749615D+01 -0.650914D+01  0.355232D+01  0.339132D+01
      2  -0.100141D+01 -0.174029D+02 -0.886788D+01 -0.124613D+02 -0.149963D+02
      3  -0.634295D+01  0.990672D+01  0.153770D+02  0.890894D+01  0.116050D+02
      4   0.154200D+02 -0.105013D+02  0.240304D+02 -0.746000D+01  0.730582D+01
      5  -0.191853D+02  0.199562D+02 -0.102384D+02  0.197658D+02  0.371640D+01
      6   0.151447D+02 -0.166047D+02  0.879992D+01 -0.118511D+02 -0.698239D+01
                 6             7             8             9            10 
      1   0.219019D+02 -0.639887D+01  0.218992D+02  0.162757D+01  0.139906D+01
      2  -0.167324D+02 -0.102515D+02 -0.189201D+02  0.448142D+01  0.874483D+01
      3  -0.516948D+01  0.166503D+02 -0.297903D+01 -0.610900D+01 -0.101439D+02
      4  -0.689545D+01  0.245087D+02 -0.898088D+01  0.257522D+01 -0.164081D+02
      5   0.599240D+01 -0.907834D+01  0.879566D+01 -0.615062D+01  0.153129D+02
      6   0.341246D+01  0.730289D+01  0.219384D+01  0.224184D+01 -0.111932D+02
                11            12            13            14            15 
      1  -0.534393D+01  0.808159D+01 -0.971408D+01 -0.809863D+01 -0.225843D+02
      2   0.426692D+01  0.705560D-01  0.451513D+01  0.121498D+02  0.106286D+02
      3   0.107701D+01 -0.815215D+01  0.519894D+01 -0.405114D+01  0.119557D+02
      4   0.373291D+01 -0.207770D+02  0.705898D+01 -0.256397D+02 -0.852420D+01
      5  -0.178227D+02 -0.712014D+01 -0.196919D+02 -0.180201D+02 -0.361746D+00
      6   0.949999D+01 -0.171559D+01 -0.144991D+01  0.157868D+01 -0.670444D+01
                16            17            18            19            20 
      1   0.718274D+01 -0.216838D+02 -0.703288D+01  0.400351D+02  0.955028D+01
      2   0.690190D+01  0.129799D+02 -0.132664D+01 -0.432182D+02 -0.135460D+02
      3  -0.140846D+02  0.870392D+01  0.835952D+01  0.318306D+01  0.399568D+01
      4  -0.288667D+02 -0.339026D+01  0.167629D+00  0.788168D+00 -0.129358D+02
      5  -0.843918D+01  0.306123D-02  0.398624D+01  0.519035D+01  0.295189D+01
      6  -0.176462D+01 -0.453035D+01 -0.166771D+00  0.700825D+01 -0.196466D+01
                21            22            23            24            25 
      1   0.290631D+01  0.207150D+02  0.478751D+01  0.599732D+01  0.964004D+00
      2  -0.229513D+01 -0.199720D+02 -0.129515D+02  0.172305D+01 -0.552096D+01
      3  -0.611175D+00 -0.743029D+00  0.816397D+01 -0.772037D+01  0.455696D+01
      4   0.430689D+01 -0.346792D+02 -0.458696D+01 -0.324017D+01  0.110950D+02
      5   0.445180D+01  0.260355D+01  0.268909D+01  0.446222D+01  0.442896D+01
      6   0.245152D+01  0.705353D+01  0.506180D+01  0.145799D+01  0.225100D+01
                26            27            28            29            30 
      1   0.862759D+01  0.171196D+02 -0.119787D+03 -0.703584D+01  0.495161D+01
      2  -0.256328D+01  0.719607D+01  0.889512D+02  0.522343D+01 -0.180174D+01
      3  -0.606431D+01 -0.243157D+02  0.308354D+02  0.181241D+01 -0.314987D+01
      4  -0.691833D+01  0.726857D+01  0.400255D+01 -0.112143D+02  0.218454D+01
      5   0.458331D+01  0.651790D+01 -0.770915D+01  0.189701D+01 -0.115983D+02
      6   0.806460D+00 -0.834785D-03 -0.130486D+02 -0.632837D+01  0.162941D+01
                31            32            33            34            35 
      1  -0.298893D+02 -0.229523D+02  0.654622D+01 -0.282114D+02  0.189812D+01
      2   0.248634D+02  0.226341D+02 -0.491227D+01  0.176010D+02 -0.266338D+01
      3   0.502588D+01  0.318250D+00 -0.163395D+01  0.106103D+02  0.765260D+00
      4  -0.285694D+01 -0.750543D+01  0.197365D+01 -0.209544D+01  0.109496D+00
      5  -0.122739D+01 -0.152845D-01 -0.223299D+01  0.600958D-02  0.179699D+01
      6  -0.309633D+01 -0.733125D+01  0.495368D+01 -0.164449D+01 -0.185304D+00
                36            37            38            39            40 
      1  -0.315543D+01  0.147586D+03  0.106499D+02 -0.869216D+01  0.301210D+02
      2  -0.281988D+01 -0.106010D+03 -0.676574D+01  0.594261D+01 -0.158192D+02
      3   0.597531D+01 -0.415765D+02 -0.388415D+01  0.274955D+01 -0.143019D+02
      4   0.182837D+01 -0.448596D+01  0.179583D+02 -0.194729D+01  0.300592D+02
      5   0.298365D+01 -0.797392D+01 -0.324674D+01  0.197066D+02 -0.451420D+01
      6  -0.507625D+01  0.153855D+02  0.644435D+01 -0.325684D+01  0.115255D+02
                41            42            43            44            45 
      1   0.164302D+01  0.272881D+01  0.318116D+02  0.899447D+01  0.124252D+02
      2   0.431075D+01  0.292021D+01 -0.196236D+02 -0.356815D+01 -0.265375D+00
      3  -0.595377D+01 -0.564903D+01 -0.121881D+02 -0.542632D+01 -0.121598D+02
      4   0.627134D+01  0.335201D+01 -0.199328D+01  0.464623D+01 -0.697651D+01
      5   0.352933D+01 -0.472240D+01  0.254433D+02 -0.500123D+01 -0.835787D+01
      6   0.736761D+00  0.486674D+01 -0.267441D+01  0.419962D+01 -0.614335D+01
                46            47            48            49            50 
      1  -0.667734D+02 -0.500537D+01 -0.831063D+01 -0.283437D+01 -0.400012D+01
      2   0.485067D+02 -0.198892D+01  0.132006D+01 -0.356769D+01  0.677771D+01
      3   0.182666D+02  0.699429D+01  0.699057D+01  0.640206D+01 -0.277759D+01
      4  -0.603353D+01 -0.163971D+02 -0.433295D+01  0.358476D+00  0.148972D+01
      5   0.170297D+01 -0.154976D+01 -0.158112D+02 -0.209786D+02  0.584892D+01
      6  -0.116918D+02 -0.251300D+01 -0.670492D+00  0.154925D+01 -0.418755D+01
                51            52            53            54            55 
      1  -0.760107D+01  0.325079D+02 -0.491356D+01 -0.144275D+02  0.270824D+02
      2   0.911376D+01 -0.367000D+02 -0.278278D+00  0.193046D+02 -0.163261D+02
      3  -0.151269D+01  0.419216D+01  0.519184D+01 -0.487712D+01 -0.107564D+02
      4   0.728412D+01 -0.235861D+02  0.498975D+01  0.887122D+01 -0.722442D+01
      5   0.610042D+01 -0.561697D+02  0.414121D+01  0.415816D+02 -0.200093D+02
      6   0.383133D+01  0.117441D+02 -0.582038D+01 -0.662670D+01  0.195822D+01
                56            57            58            59            60 
      1  -0.342494D+01 -0.114025D+02 -0.188778D+02 -0.117638D+01  0.232336D+01
      2   0.308980D+01  0.769212D+01  0.124666D+02  0.123654D+01 -0.276417D+01
      3   0.335142D+00  0.371041D+01  0.641116D+01 -0.601595D-01  0.440811D+00
      4   0.124017D+02  0.460646D+01  0.207962D+02 -0.135087D+02 -0.204821D+02
      5   0.376725D+01  0.205049D+02  0.159606D+02 -0.201523D+02 -0.105734D+02
      6  -0.122289D+01 -0.132306D+01 -0.972665D+01  0.776021D+01  0.132006D+02
                61            62            63            64            65 
      1  -0.600282D+02 -0.281664D+01 -0.421331D+00 -0.321154D+02  0.213954D+02
      2   0.488912D+02  0.202420D+01 -0.297777D+02  0.707320D+01 -0.458793D+01
      3   0.111370D+02  0.792449D+00  0.301990D+02  0.250422D+02 -0.168074D+02
      4   0.130753D+02 -0.149715D+02 -0.140939D+02  0.220515D+02 -0.668954D+01
      5   0.626476D+02 -0.863189D+01 -0.742121D+02 -0.175814D+02  0.237647D+02
      6  -0.103993D+02  0.142711D+02  0.856308D+01  0.878121D+01 -0.107287D+02
                66            67            68            69            70 
      1  -0.127220D+02  0.155330D+02  0.517520D+01  0.353620D+02 -0.230287D+02
      2  -0.792549D+00  0.121514D+01 -0.730622D+00 -0.260209D+02  0.174527D+01
      3   0.135146D+02 -0.167482D+02 -0.444458D+01 -0.934104D+01  0.212834D+02
      4   0.290291D+02 -0.119251D+02  0.781111D+01  0.125380D+02  0.346263D+02
      5   0.642693D+01  0.247223D+02  0.181602D+02 -0.132154D+02  0.293826D+01
      6  -0.878942D+01 -0.640342D+01 -0.114504D+02 -0.941317D+01 -0.716459D+01
                71            72            73            74            75 
      1   0.363436D+02  0.293554D+01 -0.537159D+02 -0.161940D+02 -0.137102D+02
      2  -0.260276D+02  0.130805D+01  0.230960D+02  0.886394D+01 -0.335568D+01
      3  -0.103159D+02 -0.424359D+01  0.306198D+02  0.733006D+01  0.170659D+02
      4   0.891508D+01 -0.587373D+01 -0.221267D+02  0.229472D+01 -0.292899D+01
      5  -0.993817D+01  0.748504D+01 -0.167570D+02 -0.354307D+01  0.105069D+02
      6  -0.970702D+01 -0.667181D+00 -0.281059D+01 -0.345933D+01  0.673336D+01
                76            77            78            79            80 
      1  -0.136682D+02  0.117002D+02 -0.386998D+01 -0.215589D+01 -0.255460D+01
      2   0.109127D+02 -0.628315D+01  0.108361D+02 -0.647356D+01  0.835462D+01
      3   0.275552D+01 -0.541701D+01 -0.696613D+01  0.862945D+01 -0.580003D+01
      4   0.113657D+02  0.268931D+02  0.145383D+02  0.414705D+00  0.740518D+01
      5  -0.545868D+01  0.225538D+02 -0.493411D+01  0.134991D+02 -0.578180D+01
      6   0.432225D+01  0.101774D+02  0.111453D+01  0.587465D+01 -0.837151D+00
                81            82            83            84            85 
      1   0.234599D+02 -0.956788D+01 -0.106128D+02 -0.945667D+01 -0.111142D+02
      2  -0.186092D+01  0.164868D+02  0.261527D+02  0.149357D+02  0.233451D+02
      3  -0.215990D+02 -0.691897D+01 -0.155399D+02 -0.547904D+01 -0.122310D+02
      4  -0.224420D+01  0.908871D+01  0.962144D+01  0.118657D+02  0.206180D+02
      5  -0.119105D+02  0.311401D+01  0.124746D+02 -0.162323D+02  0.125853D+02
      6  -0.908845D+01  0.209440D+01  0.140761D+02 -0.134979D+02  0.642638D+01
                86            87            88            89            90 
      1   0.130550D+02  0.103456D+02 -0.265829D+02  0.120477D+02 -0.982311D+01
      2  -0.137473D+02 -0.915494D+01  0.303075D+02 -0.104072D+02  0.581853D+01
      3   0.692349D+00 -0.119062D+01 -0.372461D+01 -0.164052D+01  0.400458D+01
      4   0.970080D+01  0.634776D+01  0.216473D+02  0.132161D+02 -0.104741D+02
      5  -0.154771D+01 -0.662475D+00 -0.216123D+02 -0.568580D+01  0.617315D+01
      6  -0.666752D+01 -0.346809D+01 -0.172483D+02 -0.604370D+01  0.798329D+01
                91            92            93            94            95 
      1  -0.163475D+02  0.741336D+01  0.404813D+02  0.196186D+02  0.127224D+02
      2   0.623973D+01 -0.185435D+01 -0.189106D+02 -0.155339D+02 -0.108761D+02
      3   0.101077D+02 -0.555901D+01 -0.215706D+02 -0.408471D+01 -0.184632D+01
      4   0.133385D+02  0.127382D+02  0.119518D+02 -0.450920D+01 -0.308450D+02
      5   0.465848D+02  0.111340D+02 -0.334276D+01  0.134281D+02 -0.283266D+02
      6   0.654410D+01  0.450730D+01  0.247490D+01 -0.315440D+01 -0.103169D+02
                96            97            98            99           100 
      1   0.109602D+02  0.605587D+02  0.113065D+02 -0.190106D+02  0.895696D+02
      2  -0.166620D+02 -0.282820D+02 -0.134070D+02  0.148928D+02 -0.445260D+02
      3   0.570179D+01 -0.322767D+02  0.210050D+01  0.411781D+01 -0.450436D+02
      4  -0.304499D+02  0.140002D+02 -0.237181D+02  0.121146D+02  0.345875D+02
      5   0.186066D+02 -0.228872D+02  0.126668D+02 -0.291897D+02  0.274503D+02
      6  -0.947486D+01  0.344105D+01 -0.577349D+01  0.583879D+01  0.737182D+01
               101           102           103           104           105 
      1   0.149199D+02  0.144106D+02  0.637137D+01  0.773631D+01  0.124658D+01
      2  -0.437767D+01 -0.892915D+01 -0.306832D+00  0.301786D+00 -0.118032D+01
      3  -0.105422D+02 -0.548148D+01 -0.606454D+01 -0.803810D+01 -0.662609D-01
      4   0.192184D+02  0.748586D+01  0.159617D+02  0.711176D+01  0.253902D+01
      5   0.630352D+01  0.151248D+02  0.324419D+01  0.205825D+01  0.215102D+01
      6   0.437961D+01  0.389068D+01  0.322236D+01  0.605533D+00  0.247879D+01
               106           107           108           109           110 
      1   0.284824D+01  0.108488D+01  0.589071D+01  0.133214D+01  0.473393D+01
      2  -0.303600D+01 -0.234252D+01 -0.585250D+01 -0.330998D+01 -0.289427D+01
      3   0.187761D+00  0.125764D+01 -0.382037D-01  0.197784D+01 -0.183966D+01
      4   0.225890D+01 -0.416941D+00  0.503768D+01  0.195300D+01 -0.205810D+01
      5   0.124489D+02  0.393290D+01  0.742141D+01  0.355801D+01  0.137349D+00
      6   0.317153D+01  0.203785D+01  0.309310D+01  0.316242D+01 -0.272609D+01
               111           112           113           114           115 
      1   0.108192D+02  0.189915D+01 -0.698317D+01 -0.362231D+01  0.691901D+01
      2   0.216932D+00 -0.138824D+01  0.221720D+01  0.133266D+01 -0.388763D+01
      3  -0.110361D+02 -0.510907D+00  0.476598D+01  0.228965D+01 -0.303137D+01
      4   0.129133D+01  0.135998D+01  0.872668D+00  0.341796D+01  0.309581D+01
      5  -0.360278D+01  0.116236D+01  0.224147D+01  0.397667D+01  0.560253D+01
      6  -0.493426D+01 -0.884595D+00  0.435000D+01  0.964835D+01  0.753520D+00
               116           117           118           119           120 
      1  -0.594673D+01 -0.247580D+02  0.270968D+00 -0.334433D-01 -0.273383D+01
      2   0.637391D+00 -0.127495D+02 -0.458218D+01 -0.910582D-01 -0.649986D+00
      3   0.530934D+01  0.375075D+02  0.431121D+01  0.124502D+00  0.338381D+01
      4   0.705099D+01  0.690624D+01 -0.120168D+01  0.281028D+01 -0.621865D-01
      5   0.787164D+01  0.342173D+02 -0.209163D-01  0.970956D+00  0.666344D+01
      6   0.983730D+01  0.203745D+02  0.670590D+00  0.389884D+00 -0.305525D+00
               121           122           123           124           125 
      1   0.548385D+00 -0.656960D+01 -0.413123D+01 -0.214885D+01 -0.144533D+01
      2  -0.461263D+00  0.243112D+01 -0.215957D+01  0.113275D+01 -0.229354D+01
      3  -0.871221D-01  0.413849D+01  0.629080D+01  0.101609D+01  0.373887D+01
      4   0.194832D+01 -0.195191D+01 -0.173073D+01 -0.262629D+00 -0.244559D+01
      5   0.126742D+01 -0.207464D+01 -0.260135D+01  0.548122D+01 -0.177241D+01
      6   0.124726D+00  0.117089D+01  0.637963D+01 -0.668754D+00  0.540099D+01
               126           127           128           129           130 
      1  -0.261988D+02 -0.792973D+01  0.193820D+02  0.253061D+01  0.105107D+02
      2  -0.137621D+02  0.101671D+02 -0.270161D+02 -0.348840D+01 -0.135941D+02
      3   0.399608D+02 -0.223741D+01  0.763413D+01  0.957785D+00  0.308341D+01
      4  -0.365334D+01 -0.434668D+01  0.214016D+01 -0.624166D+00  0.547689D+01
      5  -0.123124D+02  0.345764D+00 -0.130728D+01  0.153917D+01 -0.127317D+01
      6  -0.978674D+00  0.142146D+01 -0.304611D+01 -0.231537D+01 -0.139483D+01
               131           132           133           134           135 
      1  -0.369789D+02 -0.397330D+01  0.518455D+01 -0.101550D+02 -0.552252D+01
      2   0.567760D+02  0.570701D+01 -0.504419D+01  0.142920D+02  0.641157D+01
      3  -0.197971D+02 -0.173371D+01 -0.140365D+00 -0.413702D+01 -0.889050D+00
      4   0.102759D+02  0.183910D+00  0.521556D+00  0.253004D+01  0.267699D+01
      5   0.135038D+01  0.244764D+01  0.344341D+01  0.327219D+01  0.764292D+00
      6   0.526333D+01  0.785006D+01  0.364178D+00  0.103044D+02  0.371978D+01
               136           137           138           139           140 
      1   0.116468D+02  0.157706D+01 -0.257442D+01  0.274499D+01 -0.657770D+01
      2  -0.387912D+01  0.284191D+01 -0.712719D+00  0.744905D+00  0.122377D+02
      3  -0.776768D+01 -0.441897D+01  0.328714D+01 -0.348990D+01 -0.566003D+01
      4   0.182029D+02  0.153537D+02 -0.120658D+02  0.116280D+02  0.146045D+02
      5  -0.162219D+02 -0.100206D+02  0.165994D+02 -0.682231D+01 -0.998506D+01
      6  -0.103179D+02 -0.933059D+01  0.113408D+02 -0.767747D+01 -0.113475D+02
               141           142           143           144           145 
      1   0.267676D+01  0.472075D+00  0.609280D+01 -0.582231D+01 -0.740951D+01
      2  -0.473000D+01 -0.316317D+01 -0.830045D+01  0.117838D+00 -0.382209D+01
      3   0.205324D+01  0.269109D+01  0.220765D+01  0.570447D+01  0.112316D+02
      4  -0.106206D+02 -0.181871D+02 -0.172261D+02  0.164857D+02  0.702074D+01
      5   0.842731D+01  0.194847D+02  0.143002D+02 -0.240416D+02 -0.258419D+01
      6   0.107529D+02  0.151002D+02  0.174727D+02 -0.229724D+02 -0.380079D+01
               146           147           148           149           150 
      1  -0.363397D+01  0.111021D+02  0.668623D+00 -0.206791D+01 -0.556930D+01
      2   0.616460D+01  0.393030D+01  0.370739D+01 -0.256075D+00 -0.136571D+01
      3  -0.253063D+01 -0.150324D+02 -0.437601D+01  0.232399D+01  0.693501D+01
      4  -0.837996D+00 -0.642625D+01 -0.203315D+01  0.295120D+01  0.163937D+01
      5  -0.122821D+01  0.194677D+01 -0.763089D+00 -0.674259D+00  0.248140D+01
      6  -0.207949D+01  0.565989D+01 -0.148946D+01  0.253530D+01  0.889208D+00
               151           152           153           154           155 
      1   0.886293D+01 -0.122434D+01 -0.167597D+02  0.169380D+02 -0.239350D+01
      2   0.418368D+01 -0.184872D+01 -0.854575D+01 -0.842626D+01 -0.271435D+01
      3  -0.130466D+02  0.307306D+01  0.253054D+02 -0.851173D+01  0.510785D+01
      4  -0.777247D+01  0.254212D+01  0.526966D+01 -0.292417D+02  0.230661D+02
      5   0.376086D+01 -0.112536D+01  0.366923D+01  0.262484D+02 -0.152300D+02
      6   0.324658D+01  0.412048D+01 -0.930282D+01 -0.143426D+02  0.140229D+02
               156           157           158           159           160 
      1   0.305694D+01 -0.162762D+01 -0.321076D+01  0.136089D+01  0.384968D+01
      2  -0.403585D+01 -0.205232D+01  0.966603D+01 -0.178546D+01 -0.435878D+01
      3   0.978914D+00  0.367994D+01 -0.645527D+01  0.424573D+00  0.509107D+00
      4  -0.175548D+02  0.169173D+02 -0.179999D+02  0.111922D+02 -0.145242D+02
      5   0.213932D+02 -0.100282D+02  0.100077D+02 -0.878642D+01  0.179393D+02
      6  -0.138891D+02  0.997670D+01 -0.118206D+02  0.105121D+02 -0.110389D+02
               161           162           163           164           165 
      1   0.150553D+01 -0.245098D+01 -0.716737D+01 -0.118343D+02 -0.632864D-02
      2  -0.346787D+00 -0.485776D+01  0.929107D+01  0.175434D+02  0.343195D+01
      3  -0.115874D+01  0.730874D+01 -0.212370D+01 -0.570911D+01 -0.342562D+01
      4   0.114262D+02 -0.136266D+02  0.219793D+01  0.388676D+01 -0.985097D+00
      5  -0.118454D+02  0.197646D+02 -0.765251D+00 -0.428785D+01  0.251996D+00
      6   0.119861D+02 -0.154451D+02 -0.861450D+00 -0.444464D-01  0.265910D+01
               166           167           168           169           170 
      1  -0.716189D+01 -0.250892D+02 -0.343397D+01 -0.258763D+01 -0.108083D+02
      2   0.110226D+02  0.419814D+02  0.792656D+01  0.460899D+01  0.170709D+02
      3  -0.386068D+01 -0.168922D+02 -0.449259D+01 -0.202135D+01 -0.626257D+01
      4   0.523458D+01 -0.842132D+01  0.408222D+00  0.309116D+00 -0.390228D+01
      5  -0.421434D+01 -0.524043D+01 -0.411096D+01  0.105272D+00 -0.402256D+01
      6   0.859545D+00 -0.187696D+01  0.643341D+01  0.122773D+01  0.522194D+01
               171           172           173           174           175 
      1  -0.479109D+01  0.183012D+02  0.479848D+01 -0.860722D+01  0.135626D+02
      2   0.627336D+01 -0.127697D+02 -0.552805D+01  0.996595D+01 -0.118977D+02
      3  -0.148227D+01 -0.553146D+01  0.729568D+00 -0.135873D+01 -0.166487D+01
      4  -0.925443D+00  0.310010D+01  0.714074D+01 -0.649827D+01  0.768845D+01
      5  -0.295680D+01 -0.137732D+02 -0.902100D+01  0.140582D+02 -0.162339D+02
      6   0.553957D+01 -0.185319D+01 -0.695752D+00  0.133191D+01 -0.108319D+01
               176           177           178           179           180 
      1   0.437587D+01 -0.917228D+01 -0.954310D+01 -0.656376D+01  0.579182D+01
      2  -0.661839D+01  0.136090D+02  0.127989D+02  0.105578D+02 -0.181448D+02
      3   0.224252D+01 -0.443669D+01 -0.325577D+01 -0.399403D+01  0.123530D+02
      4   0.165920D+02 -0.106064D+02 -0.688522D+01 -0.108362D+02  0.872853D+01
      5  -0.130750D+02  0.193621D+02  0.200086D+02  0.122650D+02 -0.308246D+02
      6  -0.535199D+01  0.439146D+01  0.900614D+00  0.589862D+01 -0.115449D+01
               181           182           183           184           185 
      1  -0.403730D+01 -0.134719D+02 -0.736560D+01 -0.973176D+01 -0.220646D+02
      2   0.360272D+01  0.956007D+01  0.306752D+01  0.423021D+01  0.223361D+02
      3   0.434578D+00  0.391185D+01  0.429808D+01  0.550155D+01 -0.271552D+00
      4  -0.156545D+01 -0.346832D+01 -0.467324D+01  0.670298D+01 -0.251059D+02
      5   0.218046D+01 -0.361527D+01 -0.362810D+01  0.201993D+01 -0.138662D+02
      6   0.242087D+01  0.775891D+01  0.666592D+01  0.220608D+00  0.216568D+02
               186           187           188           189           190 
      1  -0.158585D+02 -0.333887D+01 -0.160148D+02 -0.142666D+02  0.727819D+02
      2   0.972792D+01  0.230685D+01  0.925438D+01  0.285542D+01 -0.282755D+02
      3   0.613053D+01  0.103202D+01  0.676046D+01  0.114112D+02 -0.445064D+02
      4  -0.140794D+02 -0.259051D-01 -0.133490D+02 -0.103907D+02 -0.401947D+02
      5  -0.110278D+02  0.425359D+01 -0.103340D+02 -0.158501D+02  0.284601D+01
      6   0.169169D+02  0.572513D+00  0.163765D+02  0.163961D+02 -0.142141D+01
               191           192           193           194           195 
      1  -0.217252D+02  0.107965D+02 -0.207201D+02  0.111404D+02 -0.555582D+01
      2   0.391602D+01 -0.210267D+01  0.251175D+01  0.120027D+01  0.140534D+01
      3   0.178092D+02 -0.869388D+01  0.182083D+02 -0.123406D+02  0.415048D+01
      4   0.230380D+02 -0.745026D+01  0.261148D+02 -0.200615D+02  0.290161D+01
      5  -0.273487D+01  0.111035D+02 -0.218634D+01 -0.121435D+00 -0.326721D+01
      6   0.431346D+00 -0.301693D+01  0.588143D-01  0.103311D+01  0.399086D+01
               196           197           198           199           200 
      1   0.276330D+02 -0.101226D+02  0.968510D+01 -0.658898D+00 -0.854764D+00
      2  -0.878228D+01  0.203223D+01 -0.387793D+01  0.151638D+01  0.549005D+00
      3  -0.188507D+02  0.809039D+01 -0.580718D+01 -0.857480D+00  0.305759D+00
      4  -0.186072D+02  0.107112D+02 -0.662858D+01  0.302710D+00  0.119722D+01
      5   0.108856D+02 -0.391812D+01  0.951745D+01 -0.949107D+00  0.522899D+00
      6  -0.339204D+01  0.347046D+01 -0.376699D+01  0.122101D+01 -0.247469D-01
               201           202           203           204           205 
      1  -0.128309D+01 -0.180804D+01 -0.144611D+01 -0.432325D+01 -0.523642D+01
      2   0.976861D+00 -0.186764D+01  0.774377D+00  0.237548D+01  0.254200D+01
      3   0.306230D+00  0.367568D+01  0.671732D+00  0.194776D+01  0.269443D+01
      4   0.929076D+00  0.274627D+00 -0.116883D+01 -0.179921D+01  0.117171D+01
      5   0.170391D+01  0.556584D+00 -0.109171D+01 -0.619766D+00  0.128443D+01
      6   0.137347D+00 -0.119918D+01  0.333270D+01  0.335194D+01  0.116458D+01
               206           207           208           209           210 
      1  -0.540695D+01 -0.122074D+02  0.217575D+01  0.218511D+01  0.580141D+01
      2   0.378490D+01  0.177187D+01 -0.351563D+01 -0.122025D+01 -0.230757D+01
      3   0.162205D+01  0.104355D+02  0.133988D+01 -0.964856D+00 -0.349385D+01
      4  -0.120294D+01 -0.244375D+01  0.271618D+01  0.134993D+01  0.152046D+01
      5  -0.159473D+01 -0.437450D+01  0.574133D+01  0.174221D+01  0.466783D+01
      6   0.489281D+01  0.712774D+01  0.186291D+01 -0.118976D+00  0.546035D+00
               211           212           213           214           215 
      1   0.216345D+01 -0.390982D+01 -0.392690D+01  0.218053D+01 -0.431653D+01
      2  -0.390906D+01  0.413316D+00 -0.170793D+01 -0.389405D+01 -0.501123D+00
      3   0.174561D+01  0.349650D+01  0.563483D+01  0.171352D+01  0.481765D+01
      4  -0.214363D+01  0.158181D+01  0.239365D+01  0.336465D+01  0.346803D+01
      5   0.477016D+01  0.322741D+01  0.660851D+01  0.795893D+01  0.543824D+01
      6  -0.149022D+01  0.289316D+01  0.424685D+01  0.235654D+01  0.610971D+01
               216           217           218           219           220 
      1  -0.193097D+02  0.257810D+01  0.941772D+01  0.129359D+00  0.195364D+02
      2  -0.849313D+01  0.219119D+00 -0.614353D+01 -0.273065D+00 -0.565778D+01
      3   0.278028D+02 -0.279722D+01 -0.327418D+01  0.143706D+00 -0.138786D+02
      4   0.423934D+01  0.448798D+01  0.264062D+00 -0.138454D+01  0.207826D+02
      5   0.218647D+02 -0.224707D+01 -0.611846D+00  0.353000D+00  0.868301D+01
      6   0.612224D+01  0.232271D+01 -0.129959D+01 -0.154201D+01  0.466668D+01
               221           222           223           224           225 
      1  -0.100748D+02 -0.369304D+01  0.535263D+01 -0.436286D+01  0.665933D+00
      2   0.222742D+02  0.505174D+01 -0.310535D+01  0.344323D+01 -0.143221D+01
      3  -0.121994D+02 -0.135871D+01 -0.224728D+01  0.919624D+00  0.766277D+00
      4   0.603864D+02  0.223461D+02  0.400687D+01  0.176457D+02  0.121658D+02
      5   0.207888D+02  0.148391D+02  0.128976D+02  0.122961D+02  0.186429D+02
      6   0.178452D+02  0.118730D+02  0.205814D+01  0.103482D+02  0.692879D+01
               226           227           228           229           230 
      1   0.164280D+02 -0.715839D+01  0.713973D+01 -0.191757D+02  0.167511D+01
      2  -0.116110D+02  0.441070D+01 -0.575571D+01  0.124321D+02 -0.187620D+01
      3  -0.481704D+01  0.274769D+01 -0.138402D+01  0.674366D+01  0.201086D+00
      4  -0.794562D+01  0.417684D+01 -0.565657D+01  0.130490D+02 -0.154066D+02
      5   0.921861D+01 -0.648292D+01  0.123623D+02 -0.163267D+02  0.197795D+02
      6  -0.301434D+01  0.596859D+00 -0.879873D+00  0.445881D+01 -0.625520D+01
               231           232           233           234           235 
      1  -0.538103D+01  0.209699D+02 -0.347847D+00  0.946884D+01  0.999481D+02
      2   0.977904D+01 -0.168278D+02  0.560728D+01 -0.221180D+02 -0.475764D+02
      3  -0.439801D+01 -0.414211D+01 -0.525943D+01  0.126492D+02 -0.523717D+02
      4   0.209115D+02 -0.571484D+01  0.196747D+02 -0.172754D+02  0.674370D+01
      5  -0.259320D+02  0.329168D+02 -0.161436D+02  0.562290D+02 -0.204206D+02
      6   0.916855D+01 -0.278213D+01  0.736672D+01 -0.699496D+01 -0.301426D+01
               236           237           238           239           240 
      1   0.217338D+01 -0.244395D+02 -0.470774D+01  0.961495D+01 -0.726877D+00
      2   0.634634D-01  0.105311D+02  0.349211D+01 -0.301713D+01  0.986203D+00
      3  -0.223685D+01  0.139083D+02  0.121562D+01 -0.659782D+01 -0.259326D+00
      4   0.129874D+02 -0.287393D+01  0.146427D+02  0.358128D+01 -0.224381D+01
      5  -0.196035D+01  0.172060D+02 -0.105054D+01 -0.176047D+01 -0.240749D+01
      6   0.801942D-01  0.181554D+01 -0.268960D+00  0.547592D+00  0.233572D+01
               241           242           243 
      1  -0.502338D+02 -0.309019D+01  0.202234D+02
      2   0.237338D+02  0.145603D+01 -0.112119D+02
      3   0.265000D+02  0.163416D+01 -0.901150D+01
      4  -0.557502D+01 -0.697264D+01  0.270598D+00
      5   0.231829D+02 -0.340599D+00 -0.173422D+02
      6   0.247541D+01  0.185587D+01 -0.258372D+01
 Leave Link  716 at Thu Aug 12 23:21:46 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.172431D+03  0.522766D+01  0.329550D+01
      2   0.522766D+01  0.111274D+03  0.296020D+01
      3   0.329550D+01  0.296020D+01  0.114997D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.708977D+01 -0.898739D+01  0.536536D+01
      2   0.310442D+02 -0.893965D+01  0.625076D+01
      3   0.236611D+02 -0.417910D+02  0.141255D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.678136D+02 -0.264645D+02 -0.109366D+01
      2   0.624127D+02  0.399834D+01  0.897050D+01
      3   0.540084D+01  0.224661D+02 -0.787684D+01
      4  -0.387350D+02  0.979913D+02 -0.271760D+02
      5  -0.324416D+02 -0.293877D+02  0.951499D+01
      6  -0.130224D+02 -0.201524D+02 -0.116107D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.286533D+01  0.238801D+01 -0.412445D+01  0.169011D+01  0.326794D+00
      2   0.238801D+01  0.205402D+00  0.399198D+01  0.326794D+00  0.291183D+01
      3  -0.412445D+01  0.399198D+01  0.633550D-01  0.402710D+01  0.184510D+01
                 6             7             8             9            10 
      1   0.402710D+01 -0.427038D+01  0.395228D+01  0.340318D+00  0.204247D+02
      2   0.184510D+01  0.395228D+01  0.232503D+01 -0.300226D-01 -0.379071D+01
      3  -0.783508D+00  0.340318D+00 -0.300226D-01 -0.186901D+01  0.433312D+01
                11            12            13            14            15 
      1  -0.379071D+01  0.433312D+01 -0.823596D+01  0.216593D+01 -0.437784D+01
      2   0.609228D+00 -0.372063D+01  0.216593D+01 -0.454515D+01 -0.292504D+01
      3  -0.372063D+01 -0.688071D+00 -0.437784D+01 -0.292504D+01 -0.305000D+00
                16            17            18            19            20 
      1   0.161785D+02 -0.486203D+01  0.230180D+00 -0.430702D+02 -0.592918D+00
      2  -0.486203D+01 -0.265053D+01 -0.137801D+00 -0.592918D+00 -0.468842D+01
      3   0.230180D+00 -0.137801D+00  0.866432D+00 -0.243132D+01  0.109827D+01
                21            22            23            24            25 
      1  -0.243132D+01  0.485891D+01 -0.947788D+01  0.221055D+01 -0.604021D+01
      2   0.109827D+01 -0.947788D+01 -0.131159D+01 -0.907538D+00  0.204876D+01
      3  -0.387270D-01  0.221055D+01 -0.907538D+00  0.238178D+01  0.210975D+00
                26            27            28            29            30 
      1   0.204876D+01  0.210975D+00  0.633935D+02  0.392011D+01  0.117844D+01
      2  -0.150009D+01  0.230076D+01  0.392011D+01  0.380233D+01 -0.741557D+00
      3   0.230076D+01  0.477771D+01  0.117844D+01 -0.741557D+00  0.153606D+01
                31            32            33            34            35 
      1   0.110147D+02  0.675611D+01 -0.172936D+01  0.910293D+01 -0.679444D+00
      2   0.675611D+01  0.307738D+01 -0.281146D+00 -0.679444D+00  0.128635D+01
      3  -0.172936D+01 -0.281146D+00 -0.116550D+01  0.167332D+01 -0.167955D+01
                36            37            38            39            40 
      1   0.167332D+01 -0.581327D+02 -0.349287D+01  0.254732D+01 -0.122630D+02
      2  -0.167955D+01 -0.349287D+01 -0.233331D+01  0.100074D+01 -0.505445D+01
      3  -0.327721D+01  0.254732D+01  0.100074D+01 -0.107516D+01  0.136696D+01
                41            42            43            44            45 
      1  -0.505445D+01  0.136696D+01 -0.118016D+02 -0.424997D+00 -0.382019D+01
      2  -0.240407D+01 -0.641699D+00 -0.424997D+00 -0.210132D+01  0.183106D+01
      3  -0.641699D+00  0.183907D+01 -0.382019D+01  0.183106D+01  0.263838D+01
                46            47            48            49            50 
      1   0.193847D+02  0.126668D+01 -0.307589D+01 -0.382210D+01 -0.558604D+00
      2   0.126668D+01 -0.109968D+01  0.963385D-01 -0.558604D+00 -0.562671D+00
      3  -0.307589D+01  0.963385D-01 -0.840322D+00  0.262409D+01 -0.869811D+00
                51            52            53            54            55 
      1   0.262409D+01 -0.229672D+02  0.769296D+00  0.816615D+01 -0.464504D+01
      2  -0.869811D+00  0.769296D+00  0.700333D+00 -0.840404D+00  0.629358D+00
      3  -0.139549D+01  0.816615D+01 -0.840404D+00 -0.549619D+01  0.271292D+01
                56            57            58            59            60 
      1   0.629358D+00  0.271292D+01  0.705261D+01 -0.165801D+01 -0.256388D+01
      2  -0.236708D+00 -0.445094D+00 -0.165801D+01  0.172182D+01  0.293641D+01
      3  -0.445094D+00 -0.990669D+00 -0.256388D+01  0.293641D+01  0.148413D+01
                61            62            63            64            65 
      1   0.231932D+02 -0.301720D+00 -0.930653D+01 -0.711377D+01  0.223744D+01
      2  -0.301720D+00  0.113037D+01  0.123970D+01  0.223744D+01 -0.231514D-01
      3  -0.930653D+01  0.123970D+01  0.107376D+02 -0.293171D+01  0.413392D+01
                66            67            68            69            70 
      1  -0.293171D+01  0.248663D+01 -0.111989D+01  0.408517D+01 -0.722635D+01
      2   0.413392D+01 -0.111989D+01  0.199033D+01  0.369798D+01  0.425783D+01
      3   0.105876D+01  0.408517D+01  0.369798D+01 -0.898604D+00 -0.153977D+00
                71            72            73            74            75 
      1   0.425783D+01 -0.153977D+00 -0.697658D+01 -0.169444D+01 -0.151940D+01
      2   0.329104D+01 -0.217154D+00 -0.169444D+01  0.208942D+01 -0.422445D+00
      3  -0.217154D+00  0.149542D+01 -0.151940D+01 -0.422445D+00  0.285264D+01
                76            77            78            79            80 
      1  -0.175679D+01  0.281592D+01 -0.719032D+00  0.484114D+00 -0.227595D+00
      2   0.281592D+01  0.526840D+01  0.332270D+01 -0.227595D+00  0.308633D+01
      3  -0.719032D+00  0.332270D+01 -0.958307D+00  0.251516D+01 -0.174553D+01
                81            82            83            84            85 
      1   0.251516D+01  0.684189D+01  0.259524D+01  0.869472D+00  0.564018D+01
      2  -0.174553D+01  0.259524D+01  0.429834D+01  0.327481D+01  0.601375D+01
      3  -0.358878D+01  0.869472D+00  0.327481D+01 -0.297566D+01  0.246510D+01
                86            87            88            89            90 
      1   0.601375D+01  0.246510D+01  0.775421D+01  0.560109D+01 -0.356117D+01
      2  -0.195494D+01 -0.134468D+00  0.560109D+01 -0.194575D+00 -0.395293D+00
      3  -0.134468D+00  0.658621D-01 -0.356117D+01 -0.395293D+00  0.794959D+00
                91            92            93            94            95 
      1   0.103181D+01 -0.148990D+01 -0.474410D+01 -0.280277D+01  0.409550D+00
      2  -0.148990D+01 -0.936604D+00 -0.118176D+01  0.409550D+00  0.416316D+01
      3  -0.474410D+01 -0.118176D+01  0.127796D+01 -0.110870D+01  0.372528D+01
                96            97            98            99           100 
      1  -0.110870D+01 -0.812702D+01 -0.127924D+01  0.330197D+01  0.118760D+02
      2   0.372528D+01 -0.127924D+01  0.308219D+01 -0.115128D+01  0.240534D+01
      3  -0.162848D+01  0.330197D+01 -0.115128D+01  0.389097D+01  0.244466D+01
               101           102           103           104           105 
      1   0.240534D+01  0.244466D+01  0.105324D+01  0.150118D+01  0.273954D+00
      2   0.184820D+01  0.592784D+00  0.150118D+01  0.603770D+00  0.189782D+00
      3   0.592784D+00  0.141143D+01  0.273954D+00  0.189782D+00  0.283043D+00
               106           107           108           109           110 
      1   0.457956D+00  0.200880D+00  0.121461D+01 -0.274229D+00  0.419730D+00
      2   0.200880D+00 -0.220286D+00  0.553234D+00  0.419730D+00 -0.894204D+00
      3   0.121461D+01  0.553234D+00  0.111170D+01  0.103611D+01 -0.287161D+00
               111           112           113           114           115 
      1   0.103611D+01  0.142483D+00 -0.168062D+00  0.530528D-01  0.908481D+00
      2  -0.287161D+00 -0.168062D+00  0.442665D+00  0.874043D+00  0.626709D-01
      3  -0.199565D+01  0.530528D-01  0.874043D+00  0.996692D+00 -0.550373D-02
               116           117           118           119           120 
      1   0.626709D-01 -0.550373D-02 -0.452494D+00 -0.425109D+00 -0.900755D+00
      2   0.163752D+01  0.173507D+01 -0.425109D+00  0.305238D+00 -0.112907D+00
      3   0.173507D+01  0.825342D+01 -0.900755D+00 -0.112907D+00 -0.373016D+00
               121           122           123           124           125 
      1  -0.174402D+01  0.389674D+00 -0.573141D-01 -0.105894D+01  0.318951D-01
      2   0.389674D+00 -0.523803D+00 -0.111083D+01  0.318951D-01 -0.111783D+01
      3  -0.573141D-01 -0.111083D+01 -0.136571D+01  0.644658D-01 -0.831993D+00
               126           127           128           129           130 
      1   0.644658D-01 -0.193672D+01  0.173592D+01  0.547777D-01  0.227287D+00
      2  -0.831993D+00  0.173592D+01 -0.409723D+01 -0.592164D+00 -0.184828D+01
      3  -0.761423D+01  0.547777D-01 -0.592164D+00 -0.314469D+00 -0.410684D+00
               131           132           133           134           135 
      1  -0.184828D+01 -0.410684D+00  0.217667D+00 -0.771498D+00  0.158083D+00
      2   0.850662D+01  0.773849D+00 -0.771498D+00  0.230476D+01  0.141891D+01
      3   0.773849D+00  0.937347D+00  0.158083D+00  0.141891D+01  0.571070D+00
               136           137           138           139           140 
      1   0.298760D+01  0.166758D+01 -0.193792D+01 -0.623203D-01  0.117389D+01
      2   0.166758D+01  0.164962D+01 -0.150632D+01  0.117389D+01  0.274976D+01
      3  -0.193792D+01 -0.150632D+01  0.233654D+01 -0.114564D+01 -0.167659D+01
               141           142           143           144           145 
      1  -0.114564D+01 -0.442807D+01 -0.255677D+01  0.284168D+01 -0.335428D+01
      2  -0.167659D+01 -0.255677D+01 -0.296428D+01  0.260533D+01  0.472567D+00
      3   0.143162D+01  0.284168D+01  0.260533D+01 -0.446823D+01  0.196018D+01
               146           147           148           149           150 
      1   0.472567D+00  0.196018D+01  0.154386D+01 -0.978253D+00 -0.563477D+00
      2  -0.111228D+01 -0.191965D+00 -0.978253D+00  0.645717D+00  0.240507D+00
      3  -0.191965D+00 -0.240662D+01 -0.563477D+00  0.240507D+00  0.128738D+01
               151           152           153           154           155 
      1   0.171747D+01 -0.444684D+00 -0.205012D+01  0.573457D+01 -0.291434D+01
      2  -0.444684D+00  0.719200D+00  0.556291D-01 -0.291434D+01  0.295088D+01
      3  -0.205012D+01  0.556291D-01  0.441288D+01  0.311475D+01 -0.224587D+01
               156           157           158           159           160 
      1   0.311475D+01 -0.167275D+01  0.195120D+01 -0.143910D+01  0.209023D+01
      2  -0.224587D+01  0.195120D+01 -0.293852D+01  0.151786D+01 -0.168886D+01
      3   0.284143D+01 -0.143910D+01  0.151786D+01 -0.130263D+01  0.216482D+01
               161           162           163           164           165 
      1  -0.168886D+01  0.216482D+01 -0.125398D+01 -0.173660D+01  0.873722D-02
      2   0.144995D+01 -0.193786D+01 -0.173660D+01 -0.242473D+01 -0.601601D+00
      3  -0.193786D+01  0.330422D+01  0.873722D-02 -0.601601D+00 -0.667600D+00
               166           167           168           169           170 
      1  -0.140159D+01 -0.146240D+01 -0.601459D+00 -0.483485D+00 -0.867450D+00
      2  -0.146240D+01 -0.655352D+01 -0.860838D+00 -0.867450D+00 -0.286032D+01
      3  -0.601459D+00 -0.860838D+00 -0.119151D+01 -0.510015D+00 -0.109638D+01
               171           172           173           174           175 
      1  -0.510015D+00  0.277813D+01  0.792501D+00 -0.129905D+01  0.204095D+01
      2  -0.109638D+01  0.792501D+00  0.760672D+00 -0.104168D+01  0.101266D+01
      3  -0.111103D+01 -0.129905D+01 -0.104168D+01  0.133312D+01 -0.188419D+01
               176           177           178           179           180 
      1   0.101266D+01 -0.188419D+01 -0.155196D+01 -0.115696D+01  0.220005D+01
      2   0.260393D+01 -0.189302D+01 -0.115696D+01 -0.188677D+01  0.157073D+01
      3  -0.189302D+01  0.258125D+01  0.220005D+01  0.157073D+01 -0.423400D+01
               181           182           183           184           185 
      1  -0.401889D+00 -0.850829D+00 -0.225224D+00 -0.133215D+01  0.208514D+00
      2  -0.850829D+00 -0.185579D+01 -0.138120D+01  0.208514D+00 -0.540292D+01
      3  -0.225224D+00 -0.138120D+01 -0.142922D+01 -0.197883D+00 -0.306581D+01
               186           187           188           189           190 
      1  -0.197883D+00 -0.254133D+00 -0.308340D+00  0.131841D+00  0.890493D+01
      2  -0.306581D+01 -0.308340D+00 -0.283279D+01 -0.239683D+01 -0.331277D+01
      3  -0.239857D+01  0.131841D+00 -0.239683D+01 -0.331138D+01  0.125425D+01
               191           192           193           194           195 
      1  -0.331277D+01  0.125425D+01 -0.291567D+01  0.253233D+01 -0.694332D+00
      2   0.202089D+01 -0.757007D+00  0.253233D+01 -0.222202D+01  0.699313D-01
      3  -0.757007D+00  0.126445D+01 -0.694332D+00  0.699313D-01 -0.513165D+00
               196           197           198           199           200 
      1   0.493995D+01 -0.181898D+01  0.145094D+01  0.143470D+01  0.543130D+00
      2  -0.181898D+01  0.102037D+01 -0.651901D+00  0.543130D+00 -0.366130D-01
      3   0.145094D+01 -0.651901D+00  0.122976D+01  0.847525D+00 -0.470264D-02
               201           202           203           204           205 
      1   0.847525D+00  0.132163D+01 -0.925026D+00  0.270806D+00  0.184055D+01
      2  -0.470264D-02 -0.925026D+00  0.676714D+00  0.107717D+01  0.534422D+00
      3  -0.710051D-01  0.270806D+00  0.107717D+01  0.118052D+01  0.487878D+00
               206           207           208           209           210 
      1   0.534422D+00  0.487878D+00 -0.142679D+01 -0.638772D+00 -0.127432D+01
      2   0.138494D+01  0.116649D+01 -0.638772D+00 -0.669167D-01 -0.878405D-01
      3   0.116649D+01  0.461493D+01 -0.127432D+01 -0.878405D-01  0.200373D+00
               211           212           213           214           215 
      1  -0.885228D+00  0.258933D+00 -0.742009D+00 -0.182015D+01 -0.571089D+00
      2   0.258933D+00 -0.557527D+00 -0.921084D+00 -0.571089D+00 -0.123044D+01
      3  -0.742009D+00 -0.921084D+00 -0.179665D+01 -0.991268D+00 -0.163689D+01
               216           217           218           219           220 
      1  -0.991268D+00 -0.874854D+00 -0.720827D+00  0.332152D+00 -0.310801D+01
      2  -0.163689D+01 -0.720827D+00  0.577797D+00  0.382957D+00 -0.184614D+01
      3  -0.661751D+01  0.332152D+00  0.382957D+00  0.227464D+00 -0.752862D+00
               221           222           223           224           225 
      1  -0.184614D+01 -0.752862D+00 -0.961774D+00 -0.408281D+00 -0.131517D+01
      2  -0.766250D+01 -0.276635D+01 -0.408281D+00 -0.220455D+01 -0.162745D+01
      3  -0.276635D+01 -0.194683D+01 -0.131517D+01 -0.162745D+01 -0.236520D+01
               226           227           228           229           230 
      1  -0.252688D+01  0.866821D+00 -0.657371D+00  0.245226D+01 -0.116308D+01
      2   0.866821D+00 -0.279950D+00  0.543635D+00 -0.116308D+01  0.168645D+01
      3  -0.657371D+00  0.543635D+00 -0.886149D+00  0.145957D+01 -0.234441D+01
               231           232           233           234           235 
      1   0.145957D+01 -0.319519D+01  0.446688D+00 -0.319525D+01 -0.948675D+01
      2  -0.234441D+01  0.446688D+00 -0.228421D+01  0.184727D+01 -0.280335D+00
      3   0.292624D+01 -0.319525D+01  0.184727D+01 -0.647028D+01  0.242710D+01
               236           237           238           239           240 
      1  -0.280335D+00  0.242710D+01  0.477528D+00 -0.125636D+01  0.151417D+00
      2  -0.103244D+01  0.206470D+00 -0.125636D+01 -0.409334D+00  0.128031D+00
      3   0.206470D+00 -0.165124D+01  0.151417D+00  0.128031D+00  0.255015D+00
               241           242           243 
      1   0.530118D+01  0.462111D+00 -0.224323D+01
      2   0.462111D+00  0.629613D+00  0.521439D-01
      3  -0.224323D+01  0.521439D-01  0.172360D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.556429D+01  0.920719D+01  0.665249D+01  0.876311D+01  0.978310D+01
      2  -0.753569D+01  0.185122D+01  0.782052D+01  0.573805D+01  0.195413D+01
      3  -0.350746D+01 -0.900954D+01  0.173322D+01 -0.110906D+01 -0.568669D+01
                 6             7             8             9            10 
      1  -0.107658D+01  0.646763D+01  0.606523D+01 -0.517997D+01  0.650799D+01
      2  -0.665097D+01  0.334708D+01 -0.628712D+01 -0.384356D+01  0.193049D+02
      3  -0.110413D+02  0.654718D+00 -0.126086D+02 -0.973037D+00  0.100701D+02
                11            12            13            14            15 
      1  -0.603329D+01 -0.420103D+00 -0.934343D+01 -0.562102D+01 -0.601534D+01
      2  -0.944182D+01  0.266134D+01 -0.131202D+02 -0.442333D+01 -0.110439D+01
      3  -0.264908D+01  0.797241D+01  0.780105D+01  0.113649D+02  0.114027D+02
                16            17            18            19            20 
      1   0.400432D+01  0.372360D+01 -0.516477D+00 -0.446430D+00  0.418537D+01
      2   0.273626D+01  0.713286D-01  0.259429D+01 -0.306256D+02 -0.952637D+00
      3   0.103818D+02  0.121166D+02  0.577660D+00 -0.184170D+02 -0.452588D+01
                21            22            23            24            25 
      1  -0.144122D+01  0.144881D+02  0.431115D+01 -0.160099D+01 -0.503622D+01
      2   0.165363D+01  0.202299D+01 -0.708062D+01  0.410901D+01 -0.153529D+02
      3  -0.246675D+01  0.417514D+01 -0.764704D+01  0.307791D+01 -0.343453D+01
                26            27            28            29            30 
      1   0.528618D+01 -0.416056D+01 -0.557214D+01 -0.266798D+00  0.140740D+00
      2   0.234084D+01  0.213102D+01  0.397274D+02  0.492187D+01 -0.365840D+01
      3   0.265714D+00 -0.110936D+01  0.186238D+02  0.950795D+01 -0.109657D+01
                31            32            33            34            35 
      1  -0.274709D+01 -0.279595D+01 -0.284125D+01  0.155878D+01 -0.303378D+00
      2   0.121571D+02  0.346405D+01 -0.122848D+01 -0.138234D+02 -0.108973D+01
      3   0.344315D+02  0.746531D+01  0.156260D+00 -0.105500D+01 -0.426128D+00
                36            37            38            39            40 
      1   0.344580D+01  0.386805D+01  0.151042D+01 -0.819863D+00  0.764337D+01
      2   0.161026D+01 -0.464055D+02 -0.405846D+01  0.130408D+02 -0.135975D+02
      3  -0.254567D+00 -0.150737D+02 -0.124214D+02  0.162789D+01 -0.109216D+02
                41            42            43            44            45 
      1   0.920229D+00 -0.487117D+01  0.184533D+01  0.473437D+00  0.721645D+00
      2  -0.290002D+01 -0.144861D+01 -0.136843D+02 -0.371259D+01 -0.654703D+01
      3  -0.643434D+01 -0.124308D+01  0.646709D+00  0.942932D-01  0.131584D+01
                46            47            48            49            50 
      1  -0.350902D-02 -0.260193D+01  0.249536D+01  0.464686D+01 -0.359807D+01
      2   0.119898D+02  0.319170D+01 -0.415623D+01 -0.463215D+01  0.236856D+01
      3   0.241428D+00  0.131539D+02 -0.469255D+01  0.260899D+02  0.213473D+01
                51            52            53            54            55 
      1  -0.673796D+01  0.290452D+01 -0.362925D+01  0.197752D+01 -0.128632D+01
      2   0.604776D+01 -0.492281D+02 -0.258780D+00  0.271140D+02 -0.285758D+01
      3  -0.166918D+01 -0.517704D+01 -0.876784D+01 -0.125767D+01  0.880141D+00
                56            57            58            59            60 
      1   0.100897D+01 -0.624202D+00  0.409767D+00  0.267073D+01 -0.165429D+01
      2   0.107104D+01  0.717183D+01  0.797110D+01 -0.844959D+01 -0.792699D+01
      3  -0.754323D+01 -0.660959D-01 -0.701727D+01  0.554346D+01  0.778625D+01
                61            62            63            64            65 
      1  -0.173685D+01  0.862811D+01 -0.260741D+00 -0.559453D+01  0.578045D+01
      2   0.290876D+02 -0.357239D+01 -0.434746D+02 -0.163327D+02  0.164908D+02
      3   0.401724D+01  0.124194D+02  0.275113D+01 -0.130698D+01 -0.454742D+01
                66            67            68            69            70 
      1  -0.485892D+01  0.831596D+01  0.264497D+01 -0.811241D+01 -0.771217D+01
      2   0.200431D+01  0.157888D+02  0.121529D+02  0.231443D+01 -0.103880D+02
      3  -0.113344D+02  0.578829D+01 -0.675394D+01 -0.187710D+02 -0.121828D+02
                71            72            73            74            75 
      1  -0.170650D+01  0.375781D+01 -0.178591D+01  0.598387D+01 -0.518689D+01
      2   0.500711D+01  0.695912D+01  0.764311D+01  0.215231D+01  0.133925D+02
      3  -0.169831D+02  0.117437D+01 -0.205828D+01 -0.134679D+02  0.543258D+00
                76            77            78            79            80 
      1   0.265327D+01  0.145365D+01  0.486035D+01 -0.427188D+01  0.971960D+01
      2   0.318988D+00  0.621782D+01 -0.320171D+01  0.479722D+01 -0.578490D+01
      3  -0.681037D+01 -0.120573D+02 -0.125098D+02  0.227307D+01 -0.117040D+02
                81            82            83            84            85 
      1   0.200302D+01 -0.393400D+01 -0.133344D+02  0.762313D+01 -0.157020D+02
      2  -0.145976D+02  0.720017D+01  0.711639D+01 -0.298287D+01  0.861778D+01
      3   0.960713D+01  0.189354D+01 -0.753596D+01 -0.563645D+01  0.650248D+01
                86            87            88            89            90 
      1   0.956776D+00 -0.355528D+01  0.550474D+01  0.289687D+01 -0.834295D+00
      2   0.425533D+01  0.187224D+01 -0.357948D+01  0.271495D+01 -0.115799D+01
      3   0.157361D+02  0.769976D+01 -0.111379D+01  0.137703D+02 -0.905340D+01
                91            92            93            94            95 
      1  -0.703221D+00  0.223967D+01  0.125773D+01 -0.571898D+01 -0.270709D+01
      2   0.201465D+02  0.321571D+01 -0.527301D+01  0.373687D+01 -0.161720D+02
      3  -0.715191D+01 -0.109751D+02 -0.286752D+01  0.128747D+02  0.198632D+02
                96            97            98            99           100 
      1  -0.869899D+01  0.462628D+01 -0.110283D+01  0.380936D+01 -0.816767D+00
      2   0.790899D+01 -0.239638D+02  0.374909D+01 -0.140522D+02 -0.515432D+01
      3   0.215828D+02 -0.484651D+01  0.124972D+02 -0.769896D+01  0.710299D+01
               101           102           103           104           105 
      1   0.203835D+01 -0.168621D+01  0.402058D+00  0.159022D+00 -0.145398D+01
      2  -0.326904D+00  0.508138D+01 -0.627238D+00 -0.709598D+00  0.855619D+00
      3  -0.654699D+01  0.955702D+00 -0.708816D+00 -0.205655D+00  0.482915D+00
               106           107           108           109           110 
      1  -0.107819D+01  0.408193D-01 -0.761538D+00 -0.876122D+00 -0.186566D+01
      2   0.152762D+01  0.121062D+01  0.245781D+01  0.482579D+01 -0.112733D+01
      3   0.205879D+00  0.609107D+00 -0.226286D+00 -0.194246D+01  0.207845D+01
               111           112           113           114           115 
      1   0.229398D+01 -0.888805D+00 -0.847857D+00 -0.139528D+01  0.369085D+00
      2  -0.633574D+01 -0.405694D+00  0.312994D+01  0.271725D+01 -0.522266D+01
      3   0.195117D+01  0.234135D+01 -0.989135D+00 -0.207515D+01  0.166284D+01
               116           117           118           119           120 
      1   0.256811D+01 -0.798323D+01  0.125921D+01  0.471920D+00  0.218457D+00
      2   0.452975D+01  0.234847D+02 -0.247010D+01 -0.635475D+00  0.909472D-01
      3  -0.363339D+01 -0.493012D+01  0.248025D+00 -0.137840D+01 -0.457023D+00
               121           122           123           124           125 
      1   0.749702D+00  0.170361D+01  0.476482D+00 -0.887211D-01  0.481322D+01
      2  -0.162417D+01 -0.534656D+00 -0.153316D+01 -0.428683D+01 -0.543041D+00
      3   0.259647D+01  0.372775D+00  0.641606D+00 -0.414257D+00  0.211052D+00
               126           127           128           129           130 
      1   0.390943D+01 -0.680829D+00  0.316535D+01  0.218706D+01  0.170589D+01
      2  -0.710299D+01 -0.499410D+00 -0.670273D+00  0.369898D+00 -0.150749D+01
      3   0.701138D+00 -0.900698D+01  0.968710D+01  0.125259D+01  0.894623D+01
               131           132           133           134           135 
      1  -0.499847D+01 -0.529911D+01  0.378745D-01 -0.283208D+01 -0.249552D+01
      2   0.412697D+00  0.482164D+00 -0.101026D+01  0.199351D+01  0.101227D+01
      3  -0.187284D+02 -0.208682D+01  0.279402D+01 -0.588051D+01 -0.217699D+01
               136           137           138           139           140 
      1   0.371257D+01  0.205137D+01 -0.562185D+01  0.236414D+01  0.193812D+01
      2  -0.871899D+00 -0.177463D+01  0.469011D+01 -0.197998D+01 -0.240181D+01
      3   0.394871D+01 -0.193210D+01 -0.121503D+01  0.174170D+00 -0.354257D+01
               141           142           143           144           145 
      1  -0.334117D+01 -0.507442D+01 -0.143359D+01  0.986100D+01  0.610867D+01
      2   0.260491D+01  0.199154D+00  0.316913D+01 -0.652213D+01  0.111504D+02
      3   0.532665D+00 -0.397077D+01  0.138713D+01  0.993363D+00  0.632843D+01
               146           147           148           149           150 
      1  -0.421464D+01 -0.489245D+01 -0.399440D+01  0.288629D+01  0.145181D+01
      2  -0.160152D+01 -0.534960D+01 -0.460737D+01  0.213458D+01  0.262445D+01
      3  -0.565313D+00 -0.355859D+01  0.263000D+00  0.727859D+00  0.900026D+00
               151           152           153           154           155 
      1  -0.517642D+01  0.352431D+01  0.787856D+01  0.191355D+01  0.365170D+00
      2  -0.844484D+01  0.112882D+01  0.899183D+01 -0.246755D+01 -0.892809D+00
      3  -0.336484D+01  0.132463D+01  0.416034D+01 -0.479836D+01 -0.252711D+01
               156           157           158           159           160 
      1   0.314265D+01 -0.155188D+00 -0.137284D+01 -0.212981D+01  0.146129D+01
      2   0.326546D+01  0.183002D+01  0.328242D+00 -0.635827D+00 -0.174210D+01
      3  -0.737799D+00  0.227122D+01  0.270878D+01  0.300975D+00 -0.274321D+01
               161           162           163           164           165 
      1  -0.415854D-01  0.414560D+01 -0.238088D+01 -0.449739D+01 -0.348501D+01
      2  -0.853736D+00  0.383196D+01  0.196758D+01  0.159734D+01  0.183280D+00
      3   0.347334D-01 -0.300067D+00  0.788357D+01  0.651976D+01  0.133227D+01
               166           167           168           169           170 
      1  -0.341862D+01 -0.994567D+01 -0.600135D+01 -0.248049D+01 -0.403249D+01
      2   0.102733D+01  0.180856D+01  0.131074D+00 -0.125797D+01 -0.401940D-01
      3   0.790759D+01  0.140555D+02  0.270824D+01  0.377789D+01  0.677199D+01
               171           172           173           174           175 
      1  -0.470882D+01 -0.250046D+01 -0.264551D+01  0.254365D+01 -0.271896D+01
      2  -0.285958D+00 -0.120063D+01 -0.251489D+01  0.419379D+01 -0.273409D+01
      3   0.324817D+01 -0.419681D+01 -0.440365D+01  0.482847D+01 -0.341266D+01
               176           177           178           179           180 
      1  -0.748192D+01  0.391866D+01  0.367518D+01  0.648248D+01 -0.583790D+01
      2  -0.551412D+01  0.723504D+01  0.331834D+01  0.412895D+01 -0.119755D+02
      3  -0.111934D+02  0.782756D+01  0.478428D+01  0.832672D+01 -0.708877D+01
               181           182           183           184           185 
      1   0.719895D+00  0.734347D+00 -0.942283D+00 -0.654788D-01  0.283353D+01
      2  -0.265202D+01 -0.547303D+01 -0.387588D+01 -0.344624D+01 -0.106431D+02
      3   0.491812D+01  0.610432D+01  0.475643D+01  0.345714D+01  0.176063D+02
               186           187           188           189           190 
      1  -0.199119D+01  0.642927D+00  0.191574D+01 -0.268586D+01  0.502764D+01
      2  -0.841579D+01 -0.188220D+01 -0.857226D+01 -0.105614D+02  0.122744D+02
      3   0.106571D+02  0.271607D+01  0.102573D+02  0.827338D+01  0.257431D+00
               191           192           193           194           195 
      1  -0.281360D+01  0.342097D+01 -0.320967D+01  0.191330D+01 -0.190544D+01
      2  -0.594428D+01  0.858599D+01 -0.527632D+01  0.241510D+01 -0.360318D+01
      3  -0.599718D+01  0.122203D+01 -0.316359D+01  0.556213D+01  0.670306D+00
               196           197           198           199           200 
      1   0.311089D+01 -0.427407D+00  0.251988D+01  0.305254D+00 -0.564966D+00
      2   0.713897D+01 -0.341377D+01  0.649445D+01  0.477338D+00  0.200224D+00
      3   0.185438D+01 -0.234174D+01  0.554478D+00  0.996799D+00  0.785434D-01
               201           202           203           204           205 
      1   0.989994D-01 -0.487850D+01  0.518321D-02 -0.128906D+01  0.801133D+00
      2  -0.534759D+00 -0.169763D+01 -0.194869D+01 -0.102720D+00 -0.437623D+01
      3   0.485525D+00  0.145257D+01  0.445788D+00  0.907928D+00  0.192359D+01
               206           207           208           209           210 
      1   0.295212D+01 -0.357268D+01  0.162809D+01  0.542819D-01  0.882185D-01
      2   0.584701D+00 -0.291358D+01  0.138870D+01 -0.392522D+00 -0.909200D+00
      3   0.151625D+01 -0.226929D-01 -0.296161D+01 -0.826899D+00 -0.126749D+00
               211           212           213           214           215 
      1  -0.619993D+01  0.534985D+00 -0.195060D+00  0.215801D+01  0.448999D+01
      2   0.162339D+01  0.190484D+01  0.279584D+01 -0.324924D+01  0.252293D+01
      3   0.101923D+02 -0.832944D-02 -0.164949D+01 -0.317950D+01 -0.297500D+01
               216           217           218           219           220 
      1   0.454473D+00 -0.109937D+00 -0.676477D+00 -0.277740D+00  0.196483D+01
      2   0.108070D+02 -0.683611D+00 -0.197354D+01  0.617039D+00 -0.924146D+00
      3  -0.334501D+01 -0.410287D+00  0.332570D+01  0.239849D+01 -0.658403D+01
               221           222           223           224           225 
      1   0.595943D+01 -0.201712D+00  0.172036D-01  0.215324D+01 -0.186522D-01
      2   0.100105D+02  0.735989D+01  0.321209D+01  0.639976D+01  0.840165D+01
      3  -0.345128D+02 -0.132327D+02 -0.831264D+00 -0.966621D+01 -0.719187D+01
               226           227           228           229           230 
      1  -0.436399D+00  0.629358D+00 -0.793247D+00  0.237374D+01 -0.318747D+01
      2   0.397211D+00 -0.152742D+01  0.426356D+01 -0.417111D+01  0.927705D+01
      3   0.202892D+01 -0.292721D+01  0.212757D+01 -0.782716D+01  0.782713D+01
               231           232           233           234           235 
      1   0.270698D+01 -0.259642D+01  0.455541D+01 -0.480769D+01  0.164082D+01
      2  -0.122210D+02  0.897995D+01 -0.783877D+01  0.254207D+02 -0.170843D+02
      3  -0.121221D+02  0.486633D+01 -0.999798D+01  0.111456D+02  0.279182D+01
               236           237           238           239           240 
      1   0.886220D-01 -0.111346D+01  0.907862D+00  0.403356D+00 -0.538812D+00
      2  -0.102211D+01  0.114813D+02 -0.481028D+00 -0.105672D+01 -0.985793D+00
      3  -0.631128D+01 -0.413980D+00 -0.349742D+01 -0.104721D+01  0.713353D+00
               241           242           243 
      1  -0.131548D+01  0.856530D+00  0.822351D+00
      2   0.109348D+02 -0.191500D+00 -0.992424D+01
      3  -0.245202D+00  0.338214D+01  0.112616D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.734436D+01  0.749615D+01 -0.650914D+01  0.355232D+01  0.339132D+01
      2  -0.100141D+01 -0.174029D+02 -0.886788D+01 -0.124613D+02 -0.149963D+02
      3  -0.634295D+01  0.990672D+01  0.153770D+02  0.890894D+01  0.116050D+02
      4   0.154200D+02 -0.105013D+02  0.240304D+02 -0.746000D+01  0.730582D+01
      5  -0.191853D+02  0.199562D+02 -0.102384D+02  0.197658D+02  0.371640D+01
      6   0.151447D+02 -0.166047D+02  0.879992D+01 -0.118511D+02 -0.698239D+01
                 6             7             8             9            10 
      1   0.219019D+02 -0.639887D+01  0.218992D+02  0.162757D+01  0.139906D+01
      2  -0.167324D+02 -0.102515D+02 -0.189201D+02  0.448142D+01  0.874483D+01
      3  -0.516948D+01  0.166503D+02 -0.297903D+01 -0.610900D+01 -0.101439D+02
      4  -0.689545D+01  0.245087D+02 -0.898088D+01  0.257522D+01 -0.164081D+02
      5   0.599240D+01 -0.907834D+01  0.879566D+01 -0.615062D+01  0.153129D+02
      6   0.341246D+01  0.730289D+01  0.219384D+01  0.224184D+01 -0.111932D+02
                11            12            13            14            15 
      1  -0.534393D+01  0.808159D+01 -0.971408D+01 -0.809863D+01 -0.225843D+02
      2   0.426692D+01  0.705560D-01  0.451513D+01  0.121498D+02  0.106286D+02
      3   0.107701D+01 -0.815215D+01  0.519894D+01 -0.405114D+01  0.119557D+02
      4   0.373291D+01 -0.207770D+02  0.705898D+01 -0.256397D+02 -0.852420D+01
      5  -0.178227D+02 -0.712014D+01 -0.196919D+02 -0.180201D+02 -0.361746D+00
      6   0.949999D+01 -0.171559D+01 -0.144991D+01  0.157868D+01 -0.670444D+01
                16            17            18            19            20 
      1   0.718274D+01 -0.216838D+02 -0.703288D+01  0.400351D+02  0.955028D+01
      2   0.690190D+01  0.129799D+02 -0.132664D+01 -0.432182D+02 -0.135460D+02
      3  -0.140846D+02  0.870392D+01  0.835952D+01  0.318306D+01  0.399568D+01
      4  -0.288667D+02 -0.339026D+01  0.167629D+00  0.788168D+00 -0.129358D+02
      5  -0.843918D+01  0.306123D-02  0.398624D+01  0.519035D+01  0.295189D+01
      6  -0.176462D+01 -0.453035D+01 -0.166771D+00  0.700825D+01 -0.196466D+01
                21            22            23            24            25 
      1   0.290631D+01  0.207150D+02  0.478751D+01  0.599732D+01  0.964004D+00
      2  -0.229513D+01 -0.199720D+02 -0.129515D+02  0.172305D+01 -0.552096D+01
      3  -0.611175D+00 -0.743029D+00  0.816397D+01 -0.772037D+01  0.455696D+01
      4   0.430689D+01 -0.346792D+02 -0.458696D+01 -0.324017D+01  0.110950D+02
      5   0.445180D+01  0.260355D+01  0.268909D+01  0.446222D+01  0.442896D+01
      6   0.245152D+01  0.705353D+01  0.506180D+01  0.145799D+01  0.225100D+01
                26            27            28            29            30 
      1   0.862759D+01  0.171196D+02 -0.119787D+03 -0.703584D+01  0.495161D+01
      2  -0.256328D+01  0.719607D+01  0.889512D+02  0.522343D+01 -0.180174D+01
      3  -0.606431D+01 -0.243157D+02  0.308354D+02  0.181241D+01 -0.314987D+01
      4  -0.691833D+01  0.726857D+01  0.400255D+01 -0.112143D+02  0.218454D+01
      5   0.458331D+01  0.651790D+01 -0.770915D+01  0.189701D+01 -0.115983D+02
      6   0.806460D+00 -0.834785D-03 -0.130486D+02 -0.632837D+01  0.162941D+01
                31            32            33            34            35 
      1  -0.298893D+02 -0.229523D+02  0.654622D+01 -0.282114D+02  0.189812D+01
      2   0.248634D+02  0.226341D+02 -0.491227D+01  0.176010D+02 -0.266338D+01
      3   0.502588D+01  0.318250D+00 -0.163395D+01  0.106103D+02  0.765260D+00
      4  -0.285694D+01 -0.750543D+01  0.197365D+01 -0.209544D+01  0.109496D+00
      5  -0.122739D+01 -0.152845D-01 -0.223299D+01  0.600958D-02  0.179699D+01
      6  -0.309633D+01 -0.733125D+01  0.495368D+01 -0.164449D+01 -0.185304D+00
                36            37            38            39            40 
      1  -0.315543D+01  0.147586D+03  0.106499D+02 -0.869216D+01  0.301210D+02
      2  -0.281988D+01 -0.106010D+03 -0.676574D+01  0.594261D+01 -0.158192D+02
      3   0.597531D+01 -0.415765D+02 -0.388415D+01  0.274955D+01 -0.143019D+02
      4   0.182837D+01 -0.448596D+01  0.179583D+02 -0.194729D+01  0.300592D+02
      5   0.298365D+01 -0.797392D+01 -0.324674D+01  0.197066D+02 -0.451420D+01
      6  -0.507625D+01  0.153855D+02  0.644435D+01 -0.325684D+01  0.115255D+02
                41            42            43            44            45 
      1   0.164302D+01  0.272881D+01  0.318116D+02  0.899447D+01  0.124252D+02
      2   0.431075D+01  0.292021D+01 -0.196236D+02 -0.356815D+01 -0.265375D+00
      3  -0.595377D+01 -0.564903D+01 -0.121881D+02 -0.542632D+01 -0.121598D+02
      4   0.627134D+01  0.335201D+01 -0.199328D+01  0.464623D+01 -0.697651D+01
      5   0.352933D+01 -0.472240D+01  0.254433D+02 -0.500123D+01 -0.835787D+01
      6   0.736761D+00  0.486674D+01 -0.267441D+01  0.419962D+01 -0.614335D+01
                46            47            48            49            50 
      1  -0.667734D+02 -0.500537D+01 -0.831063D+01 -0.283437D+01 -0.400012D+01
      2   0.485067D+02 -0.198892D+01  0.132006D+01 -0.356769D+01  0.677771D+01
      3   0.182666D+02  0.699429D+01  0.699057D+01  0.640206D+01 -0.277759D+01
      4  -0.603353D+01 -0.163971D+02 -0.433295D+01  0.358476D+00  0.148972D+01
      5   0.170297D+01 -0.154976D+01 -0.158112D+02 -0.209786D+02  0.584892D+01
      6  -0.116918D+02 -0.251300D+01 -0.670492D+00  0.154925D+01 -0.418755D+01
                51            52            53            54            55 
      1  -0.760107D+01  0.325079D+02 -0.491356D+01 -0.144275D+02  0.270824D+02
      2   0.911376D+01 -0.367000D+02 -0.278278D+00  0.193046D+02 -0.163261D+02
      3  -0.151269D+01  0.419216D+01  0.519184D+01 -0.487712D+01 -0.107564D+02
      4   0.728412D+01 -0.235861D+02  0.498975D+01  0.887122D+01 -0.722442D+01
      5   0.610042D+01 -0.561697D+02  0.414121D+01  0.415816D+02 -0.200093D+02
      6   0.383133D+01  0.117441D+02 -0.582038D+01 -0.662670D+01  0.195822D+01
                56            57            58            59            60 
      1  -0.342494D+01 -0.114025D+02 -0.188778D+02 -0.117638D+01  0.232336D+01
      2   0.308980D+01  0.769212D+01  0.124666D+02  0.123654D+01 -0.276417D+01
      3   0.335142D+00  0.371041D+01  0.641116D+01 -0.601595D-01  0.440811D+00
      4   0.124017D+02  0.460646D+01  0.207962D+02 -0.135087D+02 -0.204821D+02
      5   0.376725D+01  0.205049D+02  0.159606D+02 -0.201523D+02 -0.105734D+02
      6  -0.122289D+01 -0.132306D+01 -0.972665D+01  0.776021D+01  0.132006D+02
                61            62            63            64            65 
      1  -0.600282D+02 -0.281664D+01 -0.421331D+00 -0.321154D+02  0.213954D+02
      2   0.488912D+02  0.202420D+01 -0.297777D+02  0.707320D+01 -0.458793D+01
      3   0.111370D+02  0.792449D+00  0.301990D+02  0.250422D+02 -0.168074D+02
      4   0.130753D+02 -0.149715D+02 -0.140939D+02  0.220515D+02 -0.668954D+01
      5   0.626476D+02 -0.863189D+01 -0.742121D+02 -0.175814D+02  0.237647D+02
      6  -0.103993D+02  0.142711D+02  0.856308D+01  0.878121D+01 -0.107287D+02
                66            67            68            69            70 
      1  -0.127220D+02  0.155330D+02  0.517520D+01  0.353620D+02 -0.230287D+02
      2  -0.792549D+00  0.121514D+01 -0.730622D+00 -0.260209D+02  0.174527D+01
      3   0.135146D+02 -0.167482D+02 -0.444458D+01 -0.934104D+01  0.212834D+02
      4   0.290291D+02 -0.119251D+02  0.781111D+01  0.125380D+02  0.346263D+02
      5   0.642693D+01  0.247223D+02  0.181602D+02 -0.132154D+02  0.293826D+01
      6  -0.878942D+01 -0.640342D+01 -0.114504D+02 -0.941317D+01 -0.716459D+01
                71            72            73            74            75 
      1   0.363436D+02  0.293554D+01 -0.537159D+02 -0.161940D+02 -0.137102D+02
      2  -0.260276D+02  0.130805D+01  0.230960D+02  0.886394D+01 -0.335568D+01
      3  -0.103159D+02 -0.424359D+01  0.306198D+02  0.733006D+01  0.170659D+02
      4   0.891508D+01 -0.587373D+01 -0.221267D+02  0.229472D+01 -0.292899D+01
      5  -0.993817D+01  0.748504D+01 -0.167570D+02 -0.354307D+01  0.105069D+02
      6  -0.970702D+01 -0.667181D+00 -0.281059D+01 -0.345933D+01  0.673336D+01
                76            77            78            79            80 
      1  -0.136682D+02  0.117002D+02 -0.386998D+01 -0.215589D+01 -0.255460D+01
      2   0.109127D+02 -0.628315D+01  0.108361D+02 -0.647356D+01  0.835462D+01
      3   0.275552D+01 -0.541701D+01 -0.696613D+01  0.862945D+01 -0.580003D+01
      4   0.113657D+02  0.268931D+02  0.145383D+02  0.414705D+00  0.740518D+01
      5  -0.545868D+01  0.225538D+02 -0.493411D+01  0.134991D+02 -0.578180D+01
      6   0.432225D+01  0.101774D+02  0.111453D+01  0.587465D+01 -0.837151D+00
                81            82            83            84            85 
      1   0.234599D+02 -0.956788D+01 -0.106128D+02 -0.945667D+01 -0.111142D+02
      2  -0.186092D+01  0.164868D+02  0.261527D+02  0.149357D+02  0.233451D+02
      3  -0.215990D+02 -0.691897D+01 -0.155399D+02 -0.547904D+01 -0.122310D+02
      4  -0.224420D+01  0.908871D+01  0.962144D+01  0.118657D+02  0.206180D+02
      5  -0.119105D+02  0.311401D+01  0.124746D+02 -0.162323D+02  0.125853D+02
      6  -0.908845D+01  0.209440D+01  0.140761D+02 -0.134979D+02  0.642638D+01
                86            87            88            89            90 
      1   0.130550D+02  0.103456D+02 -0.265829D+02  0.120477D+02 -0.982311D+01
      2  -0.137473D+02 -0.915494D+01  0.303075D+02 -0.104072D+02  0.581853D+01
      3   0.692349D+00 -0.119062D+01 -0.372461D+01 -0.164052D+01  0.400458D+01
      4   0.970080D+01  0.634776D+01  0.216473D+02  0.132161D+02 -0.104741D+02
      5  -0.154771D+01 -0.662475D+00 -0.216123D+02 -0.568580D+01  0.617315D+01
      6  -0.666752D+01 -0.346809D+01 -0.172483D+02 -0.604370D+01  0.798329D+01
                91            92            93            94            95 
      1  -0.163475D+02  0.741336D+01  0.404813D+02  0.196186D+02  0.127224D+02
      2   0.623973D+01 -0.185435D+01 -0.189106D+02 -0.155339D+02 -0.108761D+02
      3   0.101077D+02 -0.555901D+01 -0.215706D+02 -0.408471D+01 -0.184632D+01
      4   0.133385D+02  0.127382D+02  0.119518D+02 -0.450920D+01 -0.308450D+02
      5   0.465848D+02  0.111340D+02 -0.334276D+01  0.134281D+02 -0.283266D+02
      6   0.654410D+01  0.450730D+01  0.247490D+01 -0.315440D+01 -0.103169D+02
                96            97            98            99           100 
      1   0.109602D+02  0.605587D+02  0.113065D+02 -0.190106D+02  0.895696D+02
      2  -0.166620D+02 -0.282820D+02 -0.134070D+02  0.148928D+02 -0.445260D+02
      3   0.570179D+01 -0.322767D+02  0.210050D+01  0.411781D+01 -0.450436D+02
      4  -0.304499D+02  0.140002D+02 -0.237181D+02  0.121146D+02  0.345875D+02
      5   0.186066D+02 -0.228872D+02  0.126668D+02 -0.291897D+02  0.274503D+02
      6  -0.947486D+01  0.344105D+01 -0.577349D+01  0.583879D+01  0.737182D+01
               101           102           103           104           105 
      1   0.149199D+02  0.144106D+02  0.637137D+01  0.773631D+01  0.124658D+01
      2  -0.437767D+01 -0.892915D+01 -0.306832D+00  0.301786D+00 -0.118032D+01
      3  -0.105422D+02 -0.548148D+01 -0.606454D+01 -0.803810D+01 -0.662609D-01
      4   0.192184D+02  0.748586D+01  0.159617D+02  0.711176D+01  0.253902D+01
      5   0.630352D+01  0.151248D+02  0.324419D+01  0.205825D+01  0.215102D+01
      6   0.437961D+01  0.389068D+01  0.322236D+01  0.605533D+00  0.247879D+01
               106           107           108           109           110 
      1   0.284824D+01  0.108488D+01  0.589071D+01  0.133214D+01  0.473393D+01
      2  -0.303600D+01 -0.234252D+01 -0.585250D+01 -0.330998D+01 -0.289427D+01
      3   0.187761D+00  0.125764D+01 -0.382037D-01  0.197784D+01 -0.183966D+01
      4   0.225890D+01 -0.416941D+00  0.503768D+01  0.195300D+01 -0.205810D+01
      5   0.124489D+02  0.393290D+01  0.742141D+01  0.355801D+01  0.137349D+00
      6   0.317153D+01  0.203785D+01  0.309310D+01  0.316242D+01 -0.272609D+01
               111           112           113           114           115 
      1   0.108192D+02  0.189915D+01 -0.698317D+01 -0.362231D+01  0.691901D+01
      2   0.216932D+00 -0.138824D+01  0.221720D+01  0.133266D+01 -0.388763D+01
      3  -0.110361D+02 -0.510907D+00  0.476598D+01  0.228965D+01 -0.303137D+01
      4   0.129133D+01  0.135998D+01  0.872668D+00  0.341796D+01  0.309581D+01
      5  -0.360278D+01  0.116236D+01  0.224147D+01  0.397667D+01  0.560253D+01
      6  -0.493426D+01 -0.884595D+00  0.435000D+01  0.964835D+01  0.753520D+00
               116           117           118           119           120 
      1  -0.594673D+01 -0.247580D+02  0.270968D+00 -0.334433D-01 -0.273383D+01
      2   0.637391D+00 -0.127495D+02 -0.458218D+01 -0.910582D-01 -0.649986D+00
      3   0.530934D+01  0.375075D+02  0.431121D+01  0.124502D+00  0.338381D+01
      4   0.705099D+01  0.690624D+01 -0.120168D+01  0.281028D+01 -0.621865D-01
      5   0.787164D+01  0.342173D+02 -0.209163D-01  0.970956D+00  0.666344D+01
      6   0.983730D+01  0.203745D+02  0.670590D+00  0.389884D+00 -0.305525D+00
               121           122           123           124           125 
      1   0.548385D+00 -0.656960D+01 -0.413123D+01 -0.214885D+01 -0.144533D+01
      2  -0.461263D+00  0.243112D+01 -0.215957D+01  0.113275D+01 -0.229354D+01
      3  -0.871221D-01  0.413849D+01  0.629080D+01  0.101609D+01  0.373887D+01
      4   0.194832D+01 -0.195191D+01 -0.173073D+01 -0.262629D+00 -0.244559D+01
      5   0.126742D+01 -0.207464D+01 -0.260135D+01  0.548122D+01 -0.177241D+01
      6   0.124726D+00  0.117089D+01  0.637963D+01 -0.668754D+00  0.540099D+01
               126           127           128           129           130 
      1  -0.261988D+02 -0.792973D+01  0.193820D+02  0.253061D+01  0.105107D+02
      2  -0.137621D+02  0.101671D+02 -0.270161D+02 -0.348840D+01 -0.135941D+02
      3   0.399608D+02 -0.223741D+01  0.763413D+01  0.957785D+00  0.308341D+01
      4  -0.365334D+01 -0.434668D+01  0.214016D+01 -0.624166D+00  0.547689D+01
      5  -0.123124D+02  0.345764D+00 -0.130728D+01  0.153917D+01 -0.127317D+01
      6  -0.978674D+00  0.142146D+01 -0.304611D+01 -0.231537D+01 -0.139483D+01
               131           132           133           134           135 
      1  -0.369789D+02 -0.397330D+01  0.518455D+01 -0.101550D+02 -0.552252D+01
      2   0.567760D+02  0.570701D+01 -0.504419D+01  0.142920D+02  0.641157D+01
      3  -0.197971D+02 -0.173371D+01 -0.140365D+00 -0.413702D+01 -0.889050D+00
      4   0.102759D+02  0.183910D+00  0.521556D+00  0.253004D+01  0.267699D+01
      5   0.135038D+01  0.244764D+01  0.344341D+01  0.327219D+01  0.764292D+00
      6   0.526333D+01  0.785006D+01  0.364178D+00  0.103044D+02  0.371978D+01
               136           137           138           139           140 
      1   0.116468D+02  0.157706D+01 -0.257442D+01  0.274499D+01 -0.657770D+01
      2  -0.387912D+01  0.284191D+01 -0.712719D+00  0.744905D+00  0.122377D+02
      3  -0.776768D+01 -0.441897D+01  0.328714D+01 -0.348990D+01 -0.566003D+01
      4   0.182029D+02  0.153537D+02 -0.120658D+02  0.116280D+02  0.146045D+02
      5  -0.162219D+02 -0.100206D+02  0.165994D+02 -0.682231D+01 -0.998506D+01
      6  -0.103179D+02 -0.933059D+01  0.113408D+02 -0.767747D+01 -0.113475D+02
               141           142           143           144           145 
      1   0.267676D+01  0.472075D+00  0.609280D+01 -0.582231D+01 -0.740951D+01
      2  -0.473000D+01 -0.316317D+01 -0.830045D+01  0.117838D+00 -0.382209D+01
      3   0.205324D+01  0.269109D+01  0.220765D+01  0.570447D+01  0.112316D+02
      4  -0.106206D+02 -0.181871D+02 -0.172261D+02  0.164857D+02  0.702074D+01
      5   0.842731D+01  0.194847D+02  0.143002D+02 -0.240416D+02 -0.258419D+01
      6   0.107529D+02  0.151002D+02  0.174727D+02 -0.229724D+02 -0.380079D+01
               146           147           148           149           150 
      1  -0.363397D+01  0.111021D+02  0.668623D+00 -0.206791D+01 -0.556930D+01
      2   0.616460D+01  0.393030D+01  0.370739D+01 -0.256075D+00 -0.136571D+01
      3  -0.253063D+01 -0.150324D+02 -0.437601D+01  0.232399D+01  0.693501D+01
      4  -0.837996D+00 -0.642625D+01 -0.203315D+01  0.295120D+01  0.163937D+01
      5  -0.122821D+01  0.194677D+01 -0.763089D+00 -0.674259D+00  0.248140D+01
      6  -0.207949D+01  0.565989D+01 -0.148946D+01  0.253530D+01  0.889208D+00
               151           152           153           154           155 
      1   0.886293D+01 -0.122434D+01 -0.167597D+02  0.169380D+02 -0.239350D+01
      2   0.418368D+01 -0.184872D+01 -0.854575D+01 -0.842626D+01 -0.271435D+01
      3  -0.130466D+02  0.307306D+01  0.253054D+02 -0.851173D+01  0.510785D+01
      4  -0.777247D+01  0.254212D+01  0.526966D+01 -0.292417D+02  0.230661D+02
      5   0.376086D+01 -0.112536D+01  0.366923D+01  0.262484D+02 -0.152300D+02
      6   0.324658D+01  0.412048D+01 -0.930282D+01 -0.143426D+02  0.140229D+02
               156           157           158           159           160 
      1   0.305694D+01 -0.162762D+01 -0.321076D+01  0.136089D+01  0.384968D+01
      2  -0.403585D+01 -0.205232D+01  0.966603D+01 -0.178546D+01 -0.435878D+01
      3   0.978914D+00  0.367994D+01 -0.645527D+01  0.424573D+00  0.509107D+00
      4  -0.175548D+02  0.169173D+02 -0.179999D+02  0.111922D+02 -0.145242D+02
      5   0.213932D+02 -0.100282D+02  0.100077D+02 -0.878642D+01  0.179393D+02
      6  -0.138891D+02  0.997670D+01 -0.118206D+02  0.105121D+02 -0.110389D+02
               161           162           163           164           165 
      1   0.150553D+01 -0.245098D+01 -0.716737D+01 -0.118343D+02 -0.632864D-02
      2  -0.346787D+00 -0.485776D+01  0.929107D+01  0.175434D+02  0.343195D+01
      3  -0.115874D+01  0.730874D+01 -0.212370D+01 -0.570911D+01 -0.342562D+01
      4   0.114262D+02 -0.136266D+02  0.219793D+01  0.388676D+01 -0.985097D+00
      5  -0.118454D+02  0.197646D+02 -0.765251D+00 -0.428785D+01  0.251996D+00
      6   0.119861D+02 -0.154451D+02 -0.861450D+00 -0.444464D-01  0.265910D+01
               166           167           168           169           170 
      1  -0.716189D+01 -0.250892D+02 -0.343397D+01 -0.258763D+01 -0.108083D+02
      2   0.110226D+02  0.419814D+02  0.792656D+01  0.460899D+01  0.170709D+02
      3  -0.386068D+01 -0.168922D+02 -0.449259D+01 -0.202135D+01 -0.626257D+01
      4   0.523458D+01 -0.842132D+01  0.408222D+00  0.309116D+00 -0.390228D+01
      5  -0.421434D+01 -0.524043D+01 -0.411096D+01  0.105272D+00 -0.402256D+01
      6   0.859545D+00 -0.187696D+01  0.643341D+01  0.122773D+01  0.522194D+01
               171           172           173           174           175 
      1  -0.479109D+01  0.183012D+02  0.479848D+01 -0.860722D+01  0.135626D+02
      2   0.627336D+01 -0.127697D+02 -0.552805D+01  0.996595D+01 -0.118977D+02
      3  -0.148227D+01 -0.553146D+01  0.729568D+00 -0.135873D+01 -0.166487D+01
      4  -0.925443D+00  0.310010D+01  0.714074D+01 -0.649827D+01  0.768845D+01
      5  -0.295680D+01 -0.137732D+02 -0.902100D+01  0.140582D+02 -0.162339D+02
      6   0.553957D+01 -0.185319D+01 -0.695752D+00  0.133191D+01 -0.108319D+01
               176           177           178           179           180 
      1   0.437587D+01 -0.917228D+01 -0.954310D+01 -0.656376D+01  0.579182D+01
      2  -0.661839D+01  0.136090D+02  0.127989D+02  0.105578D+02 -0.181448D+02
      3   0.224252D+01 -0.443669D+01 -0.325577D+01 -0.399403D+01  0.123530D+02
      4   0.165920D+02 -0.106064D+02 -0.688522D+01 -0.108362D+02  0.872853D+01
      5  -0.130750D+02  0.193621D+02  0.200086D+02  0.122650D+02 -0.308246D+02
      6  -0.535199D+01  0.439146D+01  0.900614D+00  0.589862D+01 -0.115449D+01
               181           182           183           184           185 
      1  -0.403730D+01 -0.134719D+02 -0.736560D+01 -0.973176D+01 -0.220646D+02
      2   0.360272D+01  0.956007D+01  0.306752D+01  0.423021D+01  0.223361D+02
      3   0.434578D+00  0.391185D+01  0.429808D+01  0.550155D+01 -0.271552D+00
      4  -0.156545D+01 -0.346832D+01 -0.467324D+01  0.670298D+01 -0.251059D+02
      5   0.218046D+01 -0.361527D+01 -0.362810D+01  0.201993D+01 -0.138662D+02
      6   0.242087D+01  0.775891D+01  0.666592D+01  0.220608D+00  0.216568D+02
               186           187           188           189           190 
      1  -0.158585D+02 -0.333887D+01 -0.160148D+02 -0.142666D+02  0.727819D+02
      2   0.972792D+01  0.230685D+01  0.925438D+01  0.285542D+01 -0.282755D+02
      3   0.613053D+01  0.103202D+01  0.676046D+01  0.114112D+02 -0.445064D+02
      4  -0.140794D+02 -0.259051D-01 -0.133490D+02 -0.103907D+02 -0.401947D+02
      5  -0.110278D+02  0.425359D+01 -0.103340D+02 -0.158501D+02  0.284601D+01
      6   0.169169D+02  0.572513D+00  0.163765D+02  0.163961D+02 -0.142141D+01
               191           192           193           194           195 
      1  -0.217252D+02  0.107965D+02 -0.207201D+02  0.111404D+02 -0.555582D+01
      2   0.391602D+01 -0.210267D+01  0.251175D+01  0.120027D+01  0.140534D+01
      3   0.178092D+02 -0.869388D+01  0.182083D+02 -0.123406D+02  0.415048D+01
      4   0.230380D+02 -0.745026D+01  0.261148D+02 -0.200615D+02  0.290161D+01
      5  -0.273487D+01  0.111035D+02 -0.218634D+01 -0.121435D+00 -0.326721D+01
      6   0.431346D+00 -0.301693D+01  0.588143D-01  0.103311D+01  0.399086D+01
               196           197           198           199           200 
      1   0.276330D+02 -0.101226D+02  0.968510D+01 -0.658898D+00 -0.854764D+00
      2  -0.878228D+01  0.203223D+01 -0.387793D+01  0.151638D+01  0.549005D+00
      3  -0.188507D+02  0.809039D+01 -0.580718D+01 -0.857480D+00  0.305759D+00
      4  -0.186072D+02  0.107112D+02 -0.662858D+01  0.302710D+00  0.119722D+01
      5   0.108856D+02 -0.391812D+01  0.951745D+01 -0.949107D+00  0.522899D+00
      6  -0.339204D+01  0.347046D+01 -0.376699D+01  0.122101D+01 -0.247469D-01
               201           202           203           204           205 
      1  -0.128309D+01 -0.180804D+01 -0.144611D+01 -0.432325D+01 -0.523642D+01
      2   0.976861D+00 -0.186764D+01  0.774377D+00  0.237548D+01  0.254200D+01
      3   0.306230D+00  0.367568D+01  0.671732D+00  0.194776D+01  0.269443D+01
      4   0.929076D+00  0.274627D+00 -0.116883D+01 -0.179921D+01  0.117171D+01
      5   0.170391D+01  0.556584D+00 -0.109171D+01 -0.619766D+00  0.128443D+01
      6   0.137347D+00 -0.119918D+01  0.333270D+01  0.335194D+01  0.116458D+01
               206           207           208           209           210 
      1  -0.540695D+01 -0.122074D+02  0.217575D+01  0.218511D+01  0.580141D+01
      2   0.378490D+01  0.177187D+01 -0.351563D+01 -0.122025D+01 -0.230757D+01
      3   0.162205D+01  0.104355D+02  0.133988D+01 -0.964856D+00 -0.349385D+01
      4  -0.120294D+01 -0.244375D+01  0.271618D+01  0.134993D+01  0.152046D+01
      5  -0.159473D+01 -0.437450D+01  0.574133D+01  0.174221D+01  0.466783D+01
      6   0.489281D+01  0.712774D+01  0.186291D+01 -0.118976D+00  0.546035D+00
               211           212           213           214           215 
      1   0.216345D+01 -0.390982D+01 -0.392690D+01  0.218053D+01 -0.431653D+01
      2  -0.390906D+01  0.413316D+00 -0.170793D+01 -0.389405D+01 -0.501123D+00
      3   0.174561D+01  0.349650D+01  0.563483D+01  0.171352D+01  0.481765D+01
      4  -0.214363D+01  0.158181D+01  0.239365D+01  0.336465D+01  0.346803D+01
      5   0.477016D+01  0.322741D+01  0.660851D+01  0.795893D+01  0.543824D+01
      6  -0.149022D+01  0.289316D+01  0.424685D+01  0.235654D+01  0.610971D+01
               216           217           218           219           220 
      1  -0.193097D+02  0.257810D+01  0.941772D+01  0.129359D+00  0.195364D+02
      2  -0.849313D+01  0.219119D+00 -0.614353D+01 -0.273065D+00 -0.565778D+01
      3   0.278028D+02 -0.279722D+01 -0.327418D+01  0.143706D+00 -0.138786D+02
      4   0.423934D+01  0.448798D+01  0.264062D+00 -0.138454D+01  0.207826D+02
      5   0.218647D+02 -0.224707D+01 -0.611846D+00  0.353000D+00  0.868301D+01
      6   0.612224D+01  0.232271D+01 -0.129959D+01 -0.154201D+01  0.466668D+01
               221           222           223           224           225 
      1  -0.100748D+02 -0.369304D+01  0.535263D+01 -0.436286D+01  0.665933D+00
      2   0.222742D+02  0.505174D+01 -0.310535D+01  0.344323D+01 -0.143221D+01
      3  -0.121994D+02 -0.135871D+01 -0.224728D+01  0.919624D+00  0.766277D+00
      4   0.603864D+02  0.223461D+02  0.400687D+01  0.176457D+02  0.121658D+02
      5   0.207888D+02  0.148391D+02  0.128976D+02  0.122961D+02  0.186429D+02
      6   0.178452D+02  0.118730D+02  0.205814D+01  0.103482D+02  0.692879D+01
               226           227           228           229           230 
      1   0.164280D+02 -0.715839D+01  0.713973D+01 -0.191757D+02  0.167511D+01
      2  -0.116110D+02  0.441070D+01 -0.575571D+01  0.124321D+02 -0.187620D+01
      3  -0.481704D+01  0.274769D+01 -0.138402D+01  0.674366D+01  0.201086D+00
      4  -0.794562D+01  0.417684D+01 -0.565657D+01  0.130490D+02 -0.154066D+02
      5   0.921861D+01 -0.648292D+01  0.123623D+02 -0.163267D+02  0.197795D+02
      6  -0.301434D+01  0.596859D+00 -0.879873D+00  0.445881D+01 -0.625520D+01
               231           232           233           234           235 
      1  -0.538103D+01  0.209699D+02 -0.347847D+00  0.946884D+01  0.999481D+02
      2   0.977904D+01 -0.168278D+02  0.560728D+01 -0.221180D+02 -0.475764D+02
      3  -0.439801D+01 -0.414211D+01 -0.525943D+01  0.126492D+02 -0.523717D+02
      4   0.209115D+02 -0.571484D+01  0.196747D+02 -0.172754D+02  0.674370D+01
      5  -0.259320D+02  0.329168D+02 -0.161436D+02  0.562290D+02 -0.204206D+02
      6   0.916855D+01 -0.278213D+01  0.736672D+01 -0.699496D+01 -0.301426D+01
               236           237           238           239           240 
      1   0.217338D+01 -0.244395D+02 -0.470774D+01  0.961495D+01 -0.726877D+00
      2   0.634634D-01  0.105311D+02  0.349211D+01 -0.301713D+01  0.986203D+00
      3  -0.223685D+01  0.139083D+02  0.121562D+01 -0.659782D+01 -0.259326D+00
      4   0.129874D+02 -0.287393D+01  0.146427D+02  0.358128D+01 -0.224381D+01
      5  -0.196035D+01  0.172060D+02 -0.105054D+01 -0.176047D+01 -0.240749D+01
      6   0.801942D-01  0.181554D+01 -0.268960D+00  0.547592D+00  0.233572D+01
               241           242           243 
      1  -0.502338D+02 -0.309019D+01  0.202234D+02
      2   0.237338D+02  0.145603D+01 -0.112119D+02
      3   0.265000D+02  0.163416D+01 -0.901150D+01
      4  -0.557502D+01 -0.697264D+01  0.270598D+00
      5   0.231829D+02 -0.340599D+00 -0.173422D+02
      6   0.247541D+01  0.185587D+01 -0.258372D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.124289D+01      0.315911D+01      0.105377D+02
   x          0.701090D+00      0.178199D+01      0.594408D+01
   y         -0.270005D+00     -0.686284D+00     -0.228920D+01
   z         -0.990123D+00     -0.251664D+01     -0.839461D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.124605D+03      0.184645D+02      0.205445D+02
   aniso      0.563378D+02      0.834841D+01      0.928885D+01
   xx         0.161281D+03      0.238994D+02      0.265917D+02
   yx         0.503065D+01      0.745465D+00      0.829442D+00
   yy         0.104214D+03      0.154429D+02      0.171826D+02
   zx         0.311106D+01      0.461011D+00      0.512944D+00
   zy         0.314748D+01      0.466409D+00      0.518950D+00
   zz         0.108319D+03      0.160512D+02      0.178593D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.132901D+03      0.196938D+02      0.219124D+02
   aniso      0.605577D+02      0.897372D+01      0.998461D+01
   xx         0.172431D+03      0.255517D+02      0.284301D+02
   yx         0.522766D+01      0.774659D+00      0.861924D+00
   yy         0.111274D+03      0.164891D+02      0.183466D+02
   zx         0.329550D+01      0.488342D+00      0.543354D+00
   zy         0.296020D+01      0.438657D+00      0.488072D+00
   zz         0.114997D+03      0.170407D+02      0.189604D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          3.31057103          3.01161153          0.66057137
     6          3.15169930          0.55898889          2.14372613
     6          0.72104114         -1.14537824          1.74743911
     6         -0.68428646         -0.66406633         -0.61938830
     6         -3.12615275         -0.05670664         -0.78313223
     6         -4.36984297          0.40207931         -3.25359649
     8         -3.24387892          0.25109352         -5.25017365
     6          3.56167641          1.04759525          4.95289864
     6          4.78450642         -1.68090019          1.17765614
     6          2.51877902         -3.47451589          1.57415738
     6         -7.14405281          1.07839203         -3.15095843
     1          6.50932251         -2.08450686          2.23064673
     1          5.27022703         -1.47234985         -0.81429324
     1         -0.56889375         -1.13080403          3.35615870
     1          2.11116318         -4.81747347          0.06885585
     1          2.60760481         -4.49976335          3.35605105
     1          3.06113845          2.71024006         -1.36204028
     1          5.15563423          3.89572492          0.94486153
     1          1.86577704          4.35030898          1.28110987
     1          3.45799868         -0.69393072          6.05435274
     1          2.13541212          2.34845247          5.68609534
     1          5.41947208          1.88970801          5.27572033
     1          0.34910321         -0.81935343         -2.38810818
     1         -4.27243619          0.11992801          0.90831120
     1         -7.41615038          2.78555199         -2.01913147
     1         -8.20768111         -0.43132452         -2.22423329
     1         -7.87028210          1.37824008         -5.04921726

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.124289D+01      0.315911D+01      0.105377D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.124289D+01      0.315911D+01      0.105377D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.124605D+03      0.184645D+02      0.205445D+02
   aniso      0.563378D+02      0.834841D+01      0.928885D+01
   xx         0.147859D+03      0.219104D+02      0.243786D+02
   yx        -0.800009D+01     -0.118549D+01     -0.131904D+01
   yy         0.103918D+03      0.153990D+02      0.171337D+02
   zx         0.223331D+02      0.330942D+01      0.368222D+01
   zy        -0.275125D+01     -0.407694D+00     -0.453620D+00
   zz         0.122037D+03      0.180841D+02      0.201213D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.132901D+03      0.196938D+02      0.219124D+02
   aniso      0.605577D+02      0.897372D+01      0.998461D+01
   xx         0.157746D+03      0.233755D+02      0.260088D+02
   yx        -0.830927D+01     -0.123131D+01     -0.137001D+01
   yy         0.111079D+03      0.164602D+02      0.183144D+02
   zx         0.243464D+02      0.360777D+01      0.401418D+01
   zy        -0.305158D+01     -0.452198D+00     -0.503138D+00
   zz         0.129878D+03      0.192459D+02      0.214139D+02

 ----------------------------------------------------------------------
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     SCHOPENHAUER'S LAW OF ENTROPY
 IF YOU PUT A SPOONFUL OF WINE IN A BARREL FULL
 OF SEWAGE, YOU GET SEWAGE.
 IF YOU PUT A SPOONFUL OF SEWAGE IN A BARREL FULL
 OF WINE, YOU GET SEWAGE.
 Job cpu time:       0 days 17 hours 39 minutes  3.7 seconds.
 Elapsed time:       0 days  2 hours 12 minutes 36.8 seconds.
 File lengths (MBytes):  RWF=    454 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 23:21:47 2021.
